3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide

C20H29N3O2 — CID 97012974

IUPAC3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide
SMILESCc1ccccc1CC1CN(C(=O)N[C@@H](C)CCN2CCCC2=O)C1
InChIInChI=1S/C20H29N3O2/c1-15-6-3-4-7-18(15)12-17-13-23(14-17)20(25)21-16(2)9-11-22-10-5-8-19(22)24/h3-4,6-7,16-17H,5,8-14H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyYXFNXKWLSZUAEL-INIZCTEOSA-N
MW343.47 g/mol
LogP2.58
Rot. Bonds6

About 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide

3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide (PubChem CID 97012974) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide
PubChem CID97012974
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide
SMILESCc1ccccc1CC1CN(C(=O)N[C@@H](C)CCN2CCCC2=O)C1
InChIInChI=1S/C20H29N3O2/c1-15-6-3-4-7-18(15)12-17-13-23(14-17)20(25)21-16(2)9-11-22-10-5-8-19(22)24/h3-4,6-7,16-17H,5,8-14H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyYXFNXKWLSZUAEL-INIZCTEOSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-2-methyl-1-(2-methylphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 95352258
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97041610
1,1-dioxo-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-3,5-dihydro-2H-1λ6,4-benzothiazepine-4-carboxamide
CID 139007578
(2S)-2-[(2-naphthalen-1-ylacetyl)amino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482285
phenyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 61069095
1-[2-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72842921
N-cyclopentyl-N-[(2-methylphenyl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131944371
1-[3-(oxolan-3-ylamino)butyl]pyrrolidin-2-one
CID 115718781
4-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 47328029
1-methyl-3-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 95969174
2-[(2-methylphenyl)methylamino]-N-[2-oxo-2-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]ethyl]acetamide
CID 143057845

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide?
The IUPAC name of 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide (CID 97012974) is 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide is Cc1ccccc1CC1CN(C(=O)N[C@@H](C)CCN2CCCC2=O)C1.
What is the InChIKey of 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide?
The InChIKey is YXFNXKWLSZUAEL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-6-3-4-7-18(15)12-17-13-23(14-17)20(25)21-16(2)9-11-22-10-5-8-19(22)24/h3-4,6-7,16-17H,5,8-14H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide?
3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]-N-[(2S)-4-(2-oxopyrrolidin-1-yl)butan-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 97012974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).