1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

C23H29N3O — CID 46673701

IUPAC1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CN1CCCC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C23H29N3O/c27-23(25-22(19-12-13-19)18-8-2-1-3-9-18)24-16-20-10-4-5-11-21(20)17-26-14-6-7-15-26/h1-5,8-11,19,22H,6-7,12-17H2,(H2,24,25,27)
InChIKeyRCGRVBGKYKMUKU-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.23
Rot. Bonds7

About 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea (PubChem CID 46673701) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
PubChem CID46673701
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccccc1CN1CCCC1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C23H29N3O/c27-23(25-22(19-12-13-19)18-8-2-1-3-9-18)24-16-20-10-4-5-11-21(20)17-26-14-6-7-15-26/h1-5,8-11,19,22H,6-7,12-17H2,(H2,24,25,27)
InChIKeyRCGRVBGKYKMUKU-UHFFFAOYSA-N
XLogP4.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(oxan-4-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 99815147
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343
1-(1-cyclopropylethyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 134001880
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
CID 38948033
1-[(R)-cyclopropyl(thiophen-2-yl)methyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 25470742
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119836564

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea (CID 46673701) is 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1ccccc1CN1CCCC1)NC(c1ccccc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is RCGRVBGKYKMUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-23(25-22(19-12-13-19)18-8-2-1-3-9-18)24-16-20-10-4-5-11-21(20)17-26-14-6-7-15-26/h1-5,8-11,19,22H,6-7,12-17H2,(H2,24,25,27).
What are the key properties of 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea?
1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 363.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 46673701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).