N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide

C16H22N4O — CID 39871151

IUPACN-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)n1ccnc1)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-19(4-2)15(14-8-6-5-7-9-14)12-18-16(21)20-11-10-17-13-20/h5-11,13,15H,3-4,12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeySHFDZRNXYGWTHQ-OAHLLOKOSA-N
MW286.38 g/mol
LogP2.52
Rot. Bonds6

About N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide

N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide (PubChem CID 39871151) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
PubChem CID39871151
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)n1ccnc1)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-19(4-2)15(14-8-6-5-7-9-14)12-18-16(21)20-11-10-17-13-20/h5-11,13,15H,3-4,12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeySHFDZRNXYGWTHQ-OAHLLOKOSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
3-[2-(diethylamino)-2-phenylethyl]-1-ethyl-1-methylurea
CID 115603913
N-(3-methyl-2-propan-2-ylbutyl)imidazole-1-carboxamide
CID 102908387
2-[[2-(diethylamino)-2-phenylethyl]carbamoylamino]acetic acid
CID 43445777
2-amino-N-[2-(diethylamino)-2-phenylethyl]-2-phenylacetamide
CID 119399166
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
CID 81269387
3-amino-N-[2-(diethylamino)-2-phenylethyl]pyrazine-2-carboxamide
CID 43046291
N-[2-(diethylamino)-2-phenylethyl]-3-sulfanylpropanamide
CID 107020132
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
(2S)-2-amino-N-[2-(diethylamino)-2-phenylethyl]-3-methylbutanamide
CID 61148338
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-2-sulfanylbutanamide
CID 107020130

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide (CID 39871151) is N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide is CCN(CC)[C@H](CNC(=O)n1ccnc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide?
The InChIKey is SHFDZRNXYGWTHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-19(4-2)15(14-8-6-5-7-9-14)12-18-16(21)20-11-10-17-13-20/h5-11,13,15H,3-4,12H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide?
N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-phenylethyl]imidazole-1-carboxamide is sourced from PubChem (CID 39871151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).