1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea

C19H29N3O — CID 87007508

IUPAC1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-2-11-22(14-16-8-9-16)19(23)20-13-17-10-12-21(15-17)18-6-4-3-5-7-18/h3-7,16-17H,2,8-15H2,1H3,(H,20,23)
InChIKeyXFJLRPJCXDLANE-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.34
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea

1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea (PubChem CID 87007508) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea
PubChem CID87007508
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea
SMILESCCCN(CC1CC1)C(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C19H29N3O/c1-2-11-22(14-16-8-9-16)19(23)20-13-17-10-12-21(15-17)18-6-4-3-5-7-18/h3-7,16-17H,2,8-15H2,1H3,(H,20,23)
InChIKeyXFJLRPJCXDLANE-UHFFFAOYSA-N
XLogP3.34
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
1-butyl-1,2-dimethyl-3-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111158202
N-ethyl-2-[(1-phenylpyrrolidin-3-yl)methylcarbamoylamino]acetamide
CID 86993830
1-N,1-N-dimethyl-4-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 55701826
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
3-[[[cyclopropylmethyl(propyl)carbamoyl]amino]methyl]benzoic acid
CID 61442889
3-[[1-(3,4-dimethylphenyl)pyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 110414411
1,1-dimethyl-3-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]urea
CID 110640390
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2-methylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 51082052

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea (CID 87007508) is 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea is CCCN(CC1CC1)C(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea?
The InChIKey is XFJLRPJCXDLANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-11-22(14-16-8-9-16)19(23)20-13-17-10-12-21(15-17)18-6-4-3-5-7-18/h3-7,16-17H,2,8-15H2,1H3,(H,20,23).
What are the key properties of 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea?
1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea has a molecular weight of 315.46 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylurea is sourced from PubChem (CID 87007508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).