[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea

C14H23N3O — CID 43750016

IUPAC[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
SMILESCCC(CC)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H23N3O/c1-4-12(5-2)16-10(3)11-6-8-13(9-7-11)17-14(15)18/h6-10,12,16H,4-5H2,1-3H3,(H3,15,17,18)
InChIKeyLBPQRZCPBWAVGL-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.02
Rot. Bonds6

About [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea

[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea (PubChem CID 43750016) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
PubChem CID43750016
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea
SMILESCCC(CC)NC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H23N3O/c1-4-12(5-2)16-10(3)11-6-8-13(9-7-11)17-14(15)18/h6-10,12,16H,4-5H2,1-3H3,(H3,15,17,18)
InChIKeyLBPQRZCPBWAVGL-UHFFFAOYSA-N
XLogP3.02
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[1-(heptan-3-ylamino)ethyl]phenyl]urea
CID 63945914
[4-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]phenyl]urea
CID 65312424
[4-[1-(1-ethylsulfanylpropan-2-ylamino)ethyl]phenyl]urea
CID 115725626
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
[4-[1-(pent-4-yn-2-ylamino)ethyl]phenyl]urea
CID 115725242
methyl (2S)-2-[1-[4-(carbamoylamino)phenyl]ethylamino]propanoate
CID 43786771
[4-[1-(1-pyridin-4-ylethylamino)ethyl]phenyl]urea
CID 43750014
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
CID 119721981
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]pentanamide
CID 94066123
[4-[1-(2,2-dimethylbutylamino)ethyl]phenyl]urea
CID 103699485

Frequently Asked Questions

What is the IUPAC name of [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea?
The IUPAC name of [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea (CID 43750016) is [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea?
The canonical SMILES for [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea is CCC(CC)NC(C)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea?
The InChIKey is LBPQRZCPBWAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-12(5-2)16-10(3)11-6-8-13(9-7-11)17-14(15)18/h6-10,12,16H,4-5H2,1-3H3,(H3,15,17,18).
What are the key properties of [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea?
[4-[1-(pentan-3-ylamino)ethyl]phenyl]urea has a molecular weight of 249.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(pentan-3-ylamino)ethyl]phenyl]urea is sourced from PubChem (CID 43750016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).