2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide

C24H30N4O — CID 161184673

IUPAC2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)(CCc1cnc[nH]1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H30N4O/c1-19(2)24(25,14-13-22-15-26-18-27-22)23(29)28(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-12,15,18-19H,13-14,16-17,25H2,1-2H3,(H,26,27)
InChIKeyUSXSHMKZYHBCHT-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.92
Rot. Bonds9

About 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide

2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide (PubChem CID 161184673) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
PubChem CID161184673
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide
SMILESCC(C)C(N)(CCc1cnc[nH]1)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H30N4O/c1-19(2)24(25,14-13-22-15-26-18-27-22)23(29)28(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-12,15,18-19H,13-14,16-17,25H2,1-2H3,(H,26,27)
InChIKeyUSXSHMKZYHBCHT-UHFFFAOYSA-N
XLogP3.92
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(1H-imidazol-5-ylmethyl)-3-methylbutanoic acid;hydrochloride
CID 90679615
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
(2S)-N-benzyl-N-[(2,3-dichlorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethylamino]-3-methylbutanamide
CID 139670926
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385
(2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 21129682
tert-butyl 3-(1H-imidazol-5-yl)-2-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]propanoate
CID 123393242
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
2-[benzyl-[2-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]acetic acid
CID 67421786
2-[[2-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-benzylamino]acetic acid
CID 67430533
N-benzyl-2-chloro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 167225964
2-[[3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoyl]-[(4-methylphenyl)methyl]amino]acetic acid
CID 20693281

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide?
The IUPAC name of 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide (CID 161184673) is 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide is CC(C)C(N)(CCc1cnc[nH]1)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide?
The InChIKey is USXSHMKZYHBCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-19(2)24(25,14-13-22-15-26-18-27-22)23(29)28(16-20-9-5-3-6-10-20)17-21-11-7-4-8-12-21/h3-12,15,18-19H,13-14,16-17,25H2,1-2H3,(H,26,27).
What are the key properties of 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide?
2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide has a molecular weight of 390.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dibenzyl-2-[2-(1H-imidazol-5-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 161184673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).