1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea

C20H29N3O3 — CID 126448423

IUPAC1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CNC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C20H29N3O3/c1-22(20(25)21-12-15-6-5-9-18(10-15)26-2)13-16-11-19(24)23(14-16)17-7-3-4-8-17/h5-6,9-10,16-17H,3-4,7-8,11-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyDJWRWZBYSPULAL-MRXNPFEDSA-N
MW359.47 g/mol
LogP2.63
Rot. Bonds6

About 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea

1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea (PubChem CID 126448423) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
PubChem CID126448423
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
SMILESCOc1cccc(CNC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C20H29N3O3/c1-22(20(25)21-12-15-6-5-9-18(10-15)26-2)13-16-11-19(24)23(14-16)17-7-3-4-8-17/h5-6,9-10,16-17H,3-4,7-8,11-14H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyDJWRWZBYSPULAL-MRXNPFEDSA-N
XLogP2.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea with MolForge

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Related Compounds

(3S)-1-cyclopentyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 32734074
1-cyclohexyl-N-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4251315
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]-1-methylurea
CID 131949003
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-3-methoxy-N-methylbenzenesulfonamide
CID 131890870
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 95968751
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 72925137
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-(difluoromethoxy)-N-methylbenzamide
CID 131910552
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[(3-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136850355
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61208442
(3R)-1-cyclopropyl-5-oxo-N-[(3-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 39576791

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea (CID 126448423) is 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea is COc1cccc(CNC(=O)N(C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is DJWRWZBYSPULAL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-22(20(25)21-12-15-6-5-9-18(10-15)26-2)13-16-11-19(24)23(14-16)17-7-3-4-8-17/h5-6,9-10,16-17H,3-4,7-8,11-14H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea?
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 359.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 126448423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).