N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide

C16H22N4O — CID 125173754

IUPACN-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
SMILESCN(C)CC[C@H](NC(=O)c1cncn1C)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-19(2)10-9-14(13-7-5-4-6-8-13)18-16(21)15-11-17-12-20(15)3/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyCQDNIZAYUYNRPA-AWEZNQCLSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds6

About N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide

N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide (PubChem CID 125173754) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
PubChem CID125173754
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
SMILESCN(C)CC[C@H](NC(=O)c1cncn1C)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-19(2)10-9-14(13-7-5-4-6-8-13)18-16(21)15-11-17-12-20(15)3/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21)/t14-/m0/s1
InChIKeyCQDNIZAYUYNRPA-AWEZNQCLSA-N
XLogP1.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-3-methylimidazole-4-carboxamide
CID 103510985
N-[3-(dimethylamino)-1-phenylpropyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 122558966
N-[(1R)-3-(dimethylamino)-1-phenylpropyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 125446316
N-[7-(dimethylamino)-1-phenylheptyl]benzamide
CID 3027100
N-[3-(dimethylamino)-1-phenylpropyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46974711
N-[(1S)-3-(dimethylamino)-1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 24954832
3-amino-4-chloro-N-[3-(dimethylamino)-1-phenylpropyl]-1H-pyrazole-5-carboxamide
CID 122565739
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
2-(azepan-1-yl)-N-[(1R)-3-(dimethylamino)-1-phenylpropyl]acetamide
CID 125160556
N-[3-(dimethylamino)-1-phenylpropyl]-2,6-dimethylquinoline-4-carboxamide
CID 70742212

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide (CID 125173754) is N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide is CN(C)CC[C@H](NC(=O)c1cncn1C)c1ccccc1.
What is the InChIKey of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide?
The InChIKey is CQDNIZAYUYNRPA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)10-9-14(13-7-5-4-6-8-13)18-16(21)15-11-17-12-20(15)3/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide?
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 125173754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).