N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide

C19H31N3O3 — CID 70046908

IUPACN-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCc1ncc[nH]1)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C19H31N3O3/c23-17(9-8-16-20-10-11-21-16)22-15(12-13-4-2-1-3-5-13)19(25)18(24)14-6-7-14/h10-11,13-15,18-19,24-25H,1-9,12H2,(H,20,21)(H,22,23)/t15-,18-,19+/m0/s1
InChIKeyBMDUSJHYEMOCFM-ZYSHUDEJSA-N
MW349.48 g/mol
LogP1.93
Rot. Bonds9

About N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide

N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide (PubChem CID 70046908) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
PubChem CID70046908
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCc1ncc[nH]1)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1
InChIInChI=1S/C19H31N3O3/c23-17(9-8-16-20-10-11-21-16)22-15(12-13-4-2-1-3-5-13)19(25)18(24)14-6-7-14/h10-11,13-15,18-19,24-25H,1-9,12H2,(H,20,21)(H,22,23)/t15-,18-,19+/m0/s1
InChIKeyBMDUSJHYEMOCFM-ZYSHUDEJSA-N
XLogP1.93
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trans-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91770212
N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395358
N-[(2S)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395359
N'-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-N'-(cyclopropylmethyl)-N-(1H-imidazol-2-ylmethyl)butanediamide
CID 53720062
(S)-alpha-amino-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-3-(imidazol-1-yl)propionamide
CID 53847799
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
(2R)-N-[(2S)-1-[[(2S,3R,4S)-3,4-dihydroxy-6-methylheptan-2-yl]amino]-1-oxohex-5-yn-2-yl]-2-ethyl-N'-[2-(1H-imidazol-2-yl)ethyl]-N'-methylbutanediamide
CID 59079824
(2R)-N-[(2S)-1-[[(3S,4R,5S)-4,5-dihydroxy-7-methyloctan-3-yl]amino]-1-oxohex-5-yn-2-yl]-2-ethyl-N'-[2-(1H-imidazol-2-yl)ethyl]-N'-methylbutanediamide
CID 60087995
(2S)-2-amino-N-[(2S,3R)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide
CID 67798627
2-amino-N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-imidazol-1-ylpropanamide
CID 67807569
N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 67930958

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide (CID 70046908) is N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide is O=C(CCc1ncc[nH]1)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1.
What is the InChIKey of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
The InChIKey is BMDUSJHYEMOCFM-ZYSHUDEJSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-17(9-8-16-20-10-11-21-16)22-15(12-13-4-2-1-3-5-13)19(25)18(24)14-6-7-14/h10-11,13-15,18-19,24-25H,1-9,12H2,(H,20,21)(H,22,23)/t15-,18-,19+/m0/s1.
What are the key properties of N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide?
N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide has a molecular weight of 349.48 g/mol, XLogP of 1.93, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R,4S)-1-cyclohexyl-4-cyclopropyl-3,4-dihydroxybutan-2-yl]-3-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 70046908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).