1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea

C14H21N3O — CID 55071535

IUPAC1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea
SMILESCNC(C)c1ccc(NC(=O)NC2CC2C)cc1
InChIInChI=1S/C14H21N3O/c1-9-8-13(9)17-14(18)16-12-6-4-11(5-7-12)10(2)15-3/h4-7,9-10,13,15H,8H2,1-3H3,(H2,16,17,18)
InChIKeyQPKRWIPNPVHMSE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds4

About 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea

1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea (PubChem CID 55071535) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea
PubChem CID55071535
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea
SMILESCNC(C)c1ccc(NC(=O)NC2CC2C)cc1
InChIInChI=1S/C14H21N3O/c1-9-8-13(9)17-14(18)16-12-6-4-11(5-7-12)10(2)15-3/h4-7,9-10,13,15H,8H2,1-3H3,(H2,16,17,18)
InChIKeyQPKRWIPNPVHMSE-UHFFFAOYSA-N
XLogP2.50
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 63999209
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-cyclopropyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61340222
3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid
CID 115340883
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
1-(2,3-dimethylbutyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 64598884
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
3-hydroxy-4-methyl-N-[4-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 102964223
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
2-[[4-[(2-methylcyclopropyl)carbamoylamino]benzoyl]amino]acetic acid
CID 62408634
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea (CID 55071535) is 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea is CNC(C)c1ccc(NC(=O)NC2CC2C)cc1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea?
The InChIKey is QPKRWIPNPVHMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-8-13(9)17-14(18)16-12-6-4-11(5-7-12)10(2)15-3/h4-7,9-10,13,15H,8H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea?
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea is sourced from PubChem (CID 55071535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).