1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea

C15H25N3O — CID 106286600

IUPAC1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
SMILESCCC(CC)C(N)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H25N3O/c1-4-12(5-2)14(16)10-17-15(19)18-13-8-6-11(3)7-9-13/h6-9,12,14H,4-5,10,16H2,1-3H3,(H2,17,18,19)
InChIKeyKRZSNTCUMXRYNQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea

1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea (PubChem CID 106286600) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
PubChem CID106286600
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
SMILESCCC(CC)C(N)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H25N3O/c1-4-12(5-2)14(16)10-17-15(19)18-13-8-6-11(3)7-9-13/h6-9,12,14H,4-5,10,16H2,1-3H3,(H2,17,18,19)
InChIKeyKRZSNTCUMXRYNQ-UHFFFAOYSA-N
XLogP2.88
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
1-[(2R)-2-hydroxy-2-methylbutyl]-3-(4-methylphenyl)urea
CID 94799282
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
CID 106285628
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-methylphenyl)urea
CID 61122605

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea (CID 106286600) is 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea is CCC(CC)C(N)CNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea?
The InChIKey is KRZSNTCUMXRYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12(5-2)14(16)10-17-15(19)18-13-8-6-11(3)7-9-13/h6-9,12,14H,4-5,10,16H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea?
1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea has a molecular weight of 263.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 106286600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).