N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide

C20H30N2O2 — CID 51313431

IUPACN-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1cccc(C2CCCN2CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-24-18-10-5-7-16(15-18)19-11-6-13-22(19)14-12-20(23)21-17-8-3-2-4-9-17/h5,7,10,15,17,19H,2-4,6,8-9,11-14H2,1H3,(H,21,23)
InChIKeyLSBIIZBTLZNOQQ-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.67
Rot. Bonds6

About N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide

N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide (PubChem CID 51313431) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
PubChem CID51313431
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
SMILESCOc1cccc(C2CCCN2CCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H30N2O2/c1-24-18-10-5-7-16(15-18)19-11-6-13-22(19)14-12-20(23)21-17-8-3-2-4-9-17/h5,7,10,15,17,19H,2-4,6,8-9,11-14H2,1H3,(H,21,23)
InChIKeyLSBIIZBTLZNOQQ-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
CID 95121735
3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55569285
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 94797205
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide (CID 51313431) is N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide is COc1cccc(C2CCCN2CCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide?
The InChIKey is LSBIIZBTLZNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-24-18-10-5-7-16(15-18)19-11-6-13-22(19)14-12-20(23)21-17-8-3-2-4-9-17/h5,7,10,15,17,19H,2-4,6,8-9,11-14H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide?
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide has a molecular weight of 330.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 51313431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).