2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate

C31H56N8O4 — CID 160565867

IUPAC2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate
SMILESCCCC(N)C(=O)Nc1cn(C(CC)CC)cn1.CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1cn(C(CC)CC)cn1
InChIInChI=1S/C18H32N4O3.C13H24N4O/c1-7-10-14(20-17(24)25-18(4,5)6)16(23)21-15-11-22(12-19-15)13(8-2)9-3;1-4-7-11(14)13(18)16-12-8-17(9-15-12)10(5-2)6-3/h11-14H,7-10H2,1-6H3,(H,20,24)(H,21,23);8-11H,4-7,14H2,1-3H3,(H,16,18)
InChIKeyQZXJCVJPGZYZHQ-UHFFFAOYSA-N
MW604.84 g/mol
LogP6.19
Rot. Bonds15

About 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate

2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate (PubChem CID 160565867) has the molecular formula C31H56N8O4 and a molecular weight of 604.84 g/mol. Its IUPAC name is 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Name2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate
PubChem CID160565867
Molecular FormulaC31H56N8O4
Molecular Weight604.84 g/mol
Exact Mass604.44
IUPAC Name2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate
SMILESCCCC(N)C(=O)Nc1cn(C(CC)CC)cn1.CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1cn(C(CC)CC)cn1
InChIInChI=1S/C18H32N4O3.C13H24N4O/c1-7-10-14(20-17(24)25-18(4,5)6)16(23)21-15-11-22(12-19-15)13(8-2)9-3;1-4-7-11(14)13(18)16-12-8-17(9-15-12)10(5-2)6-3/h11-14H,7-10H2,1-6H3,(H,20,24)(H,21,23);8-11H,4-7,14H2,1-3H3,(H,16,18)
InChIKeyQZXJCVJPGZYZHQ-UHFFFAOYSA-N
XLogP6.19
TPSA158.19 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.84
LogP ≤ 56.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-methyl-2-[4-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]imidazol-1-yl]propanoate
CID 124565539
methyl 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]imidazol-1-yl]propanoate
CID 67163051
methyl 2-(4-aminoimidazol-1-yl)-2-methylpropanoate;methyl 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoylamino]imidazol-1-yl]propanoate
CID 160923118
ethyl 2-[4-[2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoylamino]imidazol-1-yl]-2-phenylacetate
CID 23593854
tert-butyl N-[1-oxo-1-[[5-[(E)-3-oxobut-1-enyl]-2-pyridinyl]amino]pentan-2-yl]carbamate
CID 69291730
tert-butyl N-[(2S)-5-amino-1-[(5-methyl-2-pyridinyl)amino]-1,5-dioxopentan-2-yl]carbamate
CID 166179112
tert-butyl N-[4-methyl-1-[[1-(2-methyl-1-oxopropan-2-yl)imidazol-4-yl]amino]-1-oxopentan-2-yl]carbamate
CID 87293238
ethyl 2-[4-[[(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]-2-(4-methylphenyl)acetate
CID 59975820
tert-butyl N-[(2S)-1-imidazol-1-yl-1-oxopentan-2-yl]carbamate
CID 170928614
2-amino-N-[1-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 67164334
ethyl 2-(4-ethoxyphenyl)-2-[4-[[(2R)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-phenylmethoxypropanoyl]amino]imidazol-1-yl]acetate;methane
CID 159206410
tert-butyl N-[1-(2,2-dimethylhydrazinyl)-1-oxopentan-2-yl]carbamate
CID 116849888

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate?
The IUPAC name of 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate (CID 160565867) is 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate?
The canonical SMILES for 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate is CCCC(N)C(=O)Nc1cn(C(CC)CC)cn1.CCCC(NC(=O)OC(C)(C)C)C(=O)Nc1cn(C(CC)CC)cn1.
What is the InChIKey of 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate?
The InChIKey is QZXJCVJPGZYZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3.C13H24N4O/c1-7-10-14(20-17(24)25-18(4,5)6)16(23)21-15-11-22(12-19-15)13(8-2)9-3;1-4-7-11(14)13(18)16-12-8-17(9-15-12)10(5-2)6-3/h11-14H,7-10H2,1-6H3,(H,20,24)(H,21,23);8-11H,4-7,14H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate?
2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate has a molecular weight of 604.84 g/mol, XLogP of 6.19, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-pentan-3-ylimidazol-4-yl)pentanamide;tert-butyl N-[1-oxo-1-[(1-pentan-3-ylimidazol-4-yl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 160565867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).