(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide

C19H27N3O2 — CID 94118979

IUPAC(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1
InChIInChI=1S/C19H27N3O2/c20-18(23)16-11-12-22(13-16)19(24)21-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H2,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyPLDWSSVPRPCAQU-SJORKVTESA-N
MW329.44 g/mol
LogP2.82
Rot. Bonds4

About (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 94118979) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
PubChem CID94118979
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1
InChIInChI=1S/C19H27N3O2/c20-18(23)16-11-12-22(13-16)19(24)21-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H2,20,23)(H,21,24)/t16-,17+/m1/s1
InChIKeyPLDWSSVPRPCAQU-SJORKVTESA-N
XLogP2.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
1-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000934
1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 97055835
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
1-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 94175624
(3R)-3-(3-amino-3-oxopropyl)-N-[(R)-cyclobutyl(phenyl)methyl]piperidine-1-carboxamide
CID 95573097
(3R)-1-N-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94651536
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86802695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide (CID 94118979) is (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCCC2)C1.
What is the InChIKey of (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is PLDWSSVPRPCAQU-SJORKVTESA-N. The full InChI is InChI=1S/C19H27N3O2/c20-18(23)16-11-12-22(13-16)19(24)21-17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1,3-4,7-8,15-17H,2,5-6,9-13H2,(H2,20,23)(H,21,24)/t16-,17+/m1/s1.
What are the key properties of (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94118979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).