N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide

C15H27N5O2 — CID 95572632

IUPACN-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C15H27N5O2/c1-6-20(10-13(21)18-15(3,4)5)14(22)17-12(2)9-19-8-7-16-11-19/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,22)(H,18,21)/t12-/m0/s1
InChIKeyLQDINTZJFKDQAO-LBPRGKRZSA-N
MW309.41 g/mol
LogP1.22
Rot. Bonds6

About N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide

N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide (PubChem CID 95572632) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide
PubChem CID95572632
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C15H27N5O2/c1-6-20(10-13(21)18-15(3,4)5)14(22)17-12(2)9-19-8-7-16-11-19/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,22)(H,18,21)/t12-/m0/s1
InChIKeyLQDINTZJFKDQAO-LBPRGKRZSA-N
XLogP1.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 54958672
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94183002
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94122786
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide (CID 95572632) is N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)N[C@@H](C)Cn1ccnc1.
What is the InChIKey of N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide?
The InChIKey is LQDINTZJFKDQAO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-6-20(10-13(21)18-15(3,4)5)14(22)17-12(2)9-19-8-7-16-11-19/h7-8,11-12H,6,9-10H2,1-5H3,(H,17,22)(H,18,21)/t12-/m0/s1.
What are the key properties of N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide?
N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide has a molecular weight of 309.41 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide is sourced from PubChem (CID 95572632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).