(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide

C20H29N3O2 — CID 71982060

IUPAC(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(N)=O)CCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-15-7-5-8-16(13-15)20(10-3-2-4-11-20)14-22-18(24)17-9-6-12-23(17)19(21)25/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H2,21,25)(H,22,24)/t17-/m0/s1
InChIKeyIWWSESNAKDYLBM-KRWDZBQOSA-N
MW343.47 g/mol
LogP2.86
Rot. Bonds4

About (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 71982060) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID71982060
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(N)=O)CCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-15-7-5-8-16(13-15)20(10-3-2-4-11-20)14-22-18(24)17-9-6-12-23(17)19(21)25/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H2,21,25)(H,22,24)/t17-/m0/s1
InChIKeyIWWSESNAKDYLBM-KRWDZBQOSA-N
XLogP2.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
CID 95284457
(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120788388
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 118788710
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
4-[[1-(3-methylphenyl)cyclohexyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030435
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594
formic acid;(2S)-2-N-[1-(3-methylphenyl)piperidin-4-yl]pyrrolidine-1,2-dicarboxamide
CID 171689581
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide (CID 71982060) is (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide is Cc1cccc(C2(CNC(=O)[C@@H]3CCCN3C(N)=O)CCCCC2)c1.
What is the InChIKey of (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is IWWSESNAKDYLBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-7-5-8-16(13-15)20(10-3-2-4-11-20)14-22-18(24)17-9-6-12-23(17)19(21)25/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H2,21,25)(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 71982060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).