N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide

C16H25N3O2 — CID 18395358

IUPACN-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C[C@H](O)CC1CCCCC1)c1cnc[nH]1
InChIInChI=1S/C16H25N3O2/c20-14(8-12-4-2-1-3-5-12)10-19(15-9-17-11-18-15)16(21)13-6-7-13/h9,11-14,20H,1-8,10H2,(H,17,18)/t14-/m1/s1
InChIKeyWUDBLCVNTGJTMT-CQSZACIVSA-N
MW291.39 g/mol
LogP2.48
Rot. Bonds6

About N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide

N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide (PubChem CID 18395358) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
PubChem CID18395358
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C[C@H](O)CC1CCCCC1)c1cnc[nH]1
InChIInChI=1S/C16H25N3O2/c20-14(8-12-4-2-1-3-5-12)10-19(15-9-17-11-18-15)16(21)13-6-7-13/h9,11-14,20H,1-8,10H2,(H,17,18)/t14-/m1/s1
InChIKeyWUDBLCVNTGJTMT-CQSZACIVSA-N
XLogP2.48
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91770212
3-cyclohexyl-1-(1H-imidazol-2-yl)propan-1-ol
CID 17913114
N-[(2S)-2-cyclohexylpropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395354
N-[(2S)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395359
N-(2-cyclohexylethyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 19593129
N-(3-cyclohexylpropyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 19593161
N-(4-cyclohexylbutyl)-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 19593188
N'-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-N'-(cyclopropylmethyl)-N-(1H-imidazol-2-ylmethyl)butanediamide
CID 53720062
2-amino-N-[(2S,3S,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
CID 53947129
(2S)-2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
CID 53947130
(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
CID 67798627
N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
CID 70046908

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide (CID 18395358) is N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide is O=C(C1CC1)N(C[C@H](O)CC1CCCCC1)c1cnc[nH]1.
What is the InChIKey of N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
The InChIKey is WUDBLCVNTGJTMT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-14(8-12-4-2-1-3-5-12)10-19(15-9-17-11-18-15)16(21)13-6-7-13/h9,11-14,20H,1-8,10H2,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide?
N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 18395358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).