1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea

C19H29N3O2 — CID 125437502

IUPAC1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
SMILESCOc1cccc(CN(C(=O)NC[C@H](C)N2CCCC2)C2CC2)c1
InChIInChI=1S/C19H29N3O2/c1-15(21-10-3-4-11-21)13-20-19(23)22(17-8-9-17)14-16-6-5-7-18(12-16)24-2/h5-7,12,15,17H,3-4,8-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyLZHTZZSPQZJTGN-HNNXBMFYSA-N
MW331.46 g/mol
LogP2.85
Rot. Bonds7

About 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea

1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea (PubChem CID 125437502) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
PubChem CID125437502
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
SMILESCOc1cccc(CN(C(=O)NC[C@H](C)N2CCCC2)C2CC2)c1
InChIInChI=1S/C19H29N3O2/c1-15(21-10-3-4-11-21)13-20-19(23)22(17-8-9-17)14-16-6-5-7-18(12-16)24-2/h5-7,12,15,17H,3-4,8-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyLZHTZZSPQZJTGN-HNNXBMFYSA-N
XLogP2.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-3-ylmethyl)urea
CID 71883834
1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
CID 119072862
[3-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate
CID 42811419
2-[(3-methoxyphenyl)methoxy]-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 47036184
(4S)-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126434964
1-cyclopropyl-1-[(3-methylphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 87038989
1-cyclopropyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-2-ylmethyl)urea
CID 86999745
2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
1-cyclopropyl-3-[(2S)-2-(3-methoxyphenoxy)propyl]-1-methylurea
CID 95968582
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
CID 20908214

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea (CID 125437502) is 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea is COc1cccc(CN(C(=O)NC[C@H](C)N2CCCC2)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea?
The InChIKey is LZHTZZSPQZJTGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(21-10-3-4-11-21)13-20-19(23)22(17-8-9-17)14-16-6-5-7-18(12-16)24-2/h5-7,12,15,17H,3-4,8-11,13-14H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea?
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea is sourced from PubChem (CID 125437502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).