1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea

C16H25N3O — CID 114539731

IUPAC1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea
SMILESCNC(C)c1cccc(NC(=O)NC2CCC(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-11-7-8-15(9-11)19-16(20)18-14-6-4-5-13(10-14)12(2)17-3/h4-6,10-12,15,17H,7-9H2,1-3H3,(H2,18,19,20)
InChIKeyDLUCFGPZXIHICB-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.28
Rot. Bonds4

About 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea

1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea (PubChem CID 114539731) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea.

Molecular Properties

Compound Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea
PubChem CID114539731
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea
SMILESCNC(C)c1cccc(NC(=O)NC2CCC(C)C2)c1
InChIInChI=1S/C16H25N3O/c1-11-7-8-15(9-11)19-16(20)18-14-6-4-5-13(10-14)12(2)17-3/h4-6,10-12,15,17H,7-9H2,1-3H3,(H2,18,19,20)
InChIKeyDLUCFGPZXIHICB-UHFFFAOYSA-N
XLogP3.28
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
N-[3-[1-[(3-methylcyclopentyl)amino]ethyl]phenyl]acetamide
CID 64500396
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
1-[3-[1-(methylamino)ethyl]phenyl]-3-(5-oxopyrrolidin-3-yl)urea
CID 106197622
1-[3-(1-aminoethyl)phenyl]-3-(3,5-dimethylcyclohexyl)urea
CID 64732162
1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
CID 114539712
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507810
1-[3-(1-aminoethyl)phenyl]-3-cyclopentylurea
CID 61339811
2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548831
(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 104968384
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea?
The IUPAC name of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea (CID 114539731) is 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea.
What is the SMILES notation for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea?
The canonical SMILES for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea is CNC(C)c1cccc(NC(=O)NC2CCC(C)C2)c1.
What is the InChIKey of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea?
The InChIKey is DLUCFGPZXIHICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-7-8-15(9-11)19-16(20)18-14-6-4-5-13(10-14)12(2)17-3/h4-6,10-12,15,17H,7-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea?
1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea has a molecular weight of 275.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(methylamino)ethyl]phenyl]-3-(3-methylcyclopentyl)urea is sourced from PubChem (CID 114539731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).