(2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

C18H30N6O — CID 26327468

IUPAC(2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESCC(C)=CCN1C[C@H](n2cnnn2)C[C@H]1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H30N6O/c1-14(2)9-10-23-12-16(24-13-19-21-22-24)11-17(23)18(25)20-15-7-5-3-4-6-8-15/h9,13,15-17H,3-8,10-12H2,1-2H3,(H,20,25)/t16-,17+/m1/s1
InChIKeyOCDIDHRCYZGBAO-SJORKVTESA-N
MW346.48 g/mol
LogP2.09
Rot. Bonds5

About (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

(2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (PubChem CID 26327468) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
PubChem CID26327468
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name(2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESCC(C)=CCN1C[C@H](n2cnnn2)C[C@H]1C(=O)NC1CCCCCC1
InChIInChI=1S/C18H30N6O/c1-14(2)9-10-23-12-16(24-13-19-21-22-24)11-17(23)18(25)20-15-7-5-3-4-6-8-15/h9,13,15-17H,3-8,10-12H2,1-2H3,(H,20,25)/t16-,17+/m1/s1
InChIKeyOCDIDHRCYZGBAO-SJORKVTESA-N
XLogP2.09
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[(3S,5S)-5-(cycloheptylcarbamoyl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxylate
CID 56852405
azepan-1-yl-[(2S,4S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidin-2-yl]methanone
CID 42424341
(2S,4R)-N-[(4-methylphenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 42407429
(2S,4R)-N-[(2-chlorophenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26342872
(2S,4S)-1-benzyl-4-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 25364191
(2S,4R)-N-benzhydryl-1-[(4-methoxynaphthalen-1-yl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 45185145
1-[1-(3-methylbut-2-enyl)aziridin-2-yl]ethanone
CID 86034685
(2S,4S)-N-[(2-chlorophenyl)methyl]-1-(3-phenylpropyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26363313
(2S,4S)-N-[2-(2-methoxyphenyl)ethyl]-1-[(4-phenylphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
CID 26341828
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890215
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(tetrazol-1-yl)acetate
CID 8890216
1-cyclohexyl-3-[(1S,5S)-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 98110146

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (CID 26327468) is (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is CC(C)=CCN1C[C@H](n2cnnn2)C[C@H]1C(=O)NC1CCCCCC1.
What is the InChIKey of (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is OCDIDHRCYZGBAO-SJORKVTESA-N. The full InChI is InChI=1S/C18H30N6O/c1-14(2)9-10-23-12-16(24-13-19-21-22-24)11-17(23)18(25)20-15-7-5-3-4-6-8-15/h9,13,15-17H,3-8,10-12H2,1-2H3,(H,20,25)/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
(2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-cycloheptyl-1-(3-methylbut-2-enyl)-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 26327468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).