1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea

C15H23N3O — CID 61341452

IUPAC1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccc(NC(=O)NCC2CC2)cc1
InChIInChI=1S/C15H23N3O/c1-3-16-11(2)13-6-8-14(9-7-13)18-15(19)17-10-12-4-5-12/h6-9,11-12,16H,3-5,10H2,1-2H3,(H2,17,18,19)
InChIKeyBIJSQZSVNCFCPG-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.89
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea

1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea (PubChem CID 61341452) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
PubChem CID61341452
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
SMILESCCNC(C)c1ccc(NC(=O)NCC2CC2)cc1
InChIInChI=1S/C15H23N3O/c1-3-16-11(2)13-6-8-14(9-7-13)18-15(19)17-10-12-4-5-12/h6-9,11-12,16H,3-5,10H2,1-2H3,(H2,17,18,19)
InChIKeyBIJSQZSVNCFCPG-UHFFFAOYSA-N
XLogP2.89
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylpropan-2-yl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 63995785
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
1-[4-[1-(ethylamino)ethyl]phenyl]-3-(2-methylsulfonylethyl)urea
CID 61340342
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
1-[4-(1-aminoethyl)phenyl]-3-[(3-methylcyclopentyl)methyl]urea
CID 107415057
1-(cyclobutylmethyl)-3-(4-propylphenyl)urea
CID 112824904
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
1-(cyclobutylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 62854786
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
N-[4-[1-(ethylamino)ethyl]phenyl]-2-propan-2-yloxyacetamide
CID 112602421

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea (CID 61341452) is 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea is CCNC(C)c1ccc(NC(=O)NCC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
The InChIKey is BIJSQZSVNCFCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-16-11(2)13-6-8-14(9-7-13)18-15(19)17-10-12-4-5-12/h6-9,11-12,16H,3-5,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea?
1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea has a molecular weight of 261.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61341452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).