(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide

C18H30N6O3 — CID 155492536

IUPAC(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1NC(=O)CCn1nnnc1C
InChIInChI=1S/C18H30N6O3/c1-3-10-27-16-11-13(18(26)19-14-5-6-14)4-7-15(16)20-17(25)8-9-24-12(2)21-22-23-24/h13-16H,3-11H2,1-2H3,(H,19,26)(H,20,25)/t13-,15+,16+/m0/s1
InChIKeyUCYUKSFBANGQTC-NUEKZKHPSA-N
MW378.48 g/mol
LogP0.73
Rot. Bonds9

About (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide

(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide (PubChem CID 155492536) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide
PubChem CID155492536
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide
SMILESCCCO[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1NC(=O)CCn1nnnc1C
InChIInChI=1S/C18H30N6O3/c1-3-10-27-16-11-13(18(26)19-14-5-6-14)4-7-15(16)20-17(25)8-9-24-12(2)21-22-23-24/h13-16H,3-11H2,1-2H3,(H,19,26)(H,20,25)/t13-,15+,16+/m0/s1
InChIKeyUCYUKSFBANGQTC-NUEKZKHPSA-N
XLogP0.73
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-4-[2-(dimethylamino)ethoxy]oxan-3-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 133268591
(1S,3S,4S)-N-cyclopropyl-4-[(2-methyl-5-propylpyrimidin-4-yl)amino]-3-propoxycyclohexane-1-carboxamide
CID 162625750
N-[(1R,2R,4S)-4-(cyclobutylcarbamoyl)-2-propoxycyclohexyl]-3-hydroxypyridine-2-carboxamide
CID 157016597
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91830886
N-[(3S,7R,8aS)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(5-methyltetrazol-1-yl)propanamide;formic acid
CID 155972821
N-[(3S,7S,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 155496961
N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91779821
N-[(1R,2R,5S)-5-(cyclobutylcarbamoyl)-2-propoxycyclohexyl]-1-methylpiperidine-4-carboxamide;formic acid
CID 154922413
methyl 3-(5-methyltetrazol-1-yl)propanoate
CID 59922425
formic acid;(1S,3R,4R)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(propanoylamino)-3-propoxycyclohexane-1-carboxamide
CID 163338210
(1S,3R,4R)-3-[[2-(5-amino-3-methylpyrazol-1-yl)acetyl]amino]-N-propan-2-yl-4-propoxycyclohexane-1-carboxamide
CID 163306534
(1S,3S,4S)-N-cyclopropyl-3-methoxy-4-[4-(4-methoxyphenyl)butanoylamino]cyclohexane-1-carboxamide
CID 155491944

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide (CID 155492536) is (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide is CCCO[C@@H]1C[C@@H](C(=O)NC2CC2)CC[C@H]1NC(=O)CCn1nnnc1C.
What is the InChIKey of (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide?
The InChIKey is UCYUKSFBANGQTC-NUEKZKHPSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-3-10-27-16-11-13(18(26)19-14-5-6-14)4-7-15(16)20-17(25)8-9-24-12(2)21-22-23-24/h13-16H,3-11H2,1-2H3,(H,19,26)(H,20,25)/t13-,15+,16+/m0/s1.
What are the key properties of (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide?
(1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-N-cyclopropyl-4-[3-(5-methyltetrazol-1-yl)propanoylamino]-3-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 155492536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).