1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea

C14H23N3O — CID 106357297

IUPAC1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(CCN)C(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-10(2)13(8-9-15)17-14(18)16-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9,15H2,1-3H3,(H2,16,17,18)
InChIKeyVRANKYBWHNNQDQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.49
Rot. Bonds5

About 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea

1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea (PubChem CID 106357297) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea
PubChem CID106357297
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC(CCN)C(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-10(2)13(8-9-15)17-14(18)16-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9,15H2,1-3H3,(H2,16,17,18)
InChIKeyVRANKYBWHNNQDQ-UHFFFAOYSA-N
XLogP2.49
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-6-amino-N-hydroxy-2-[(4-methylphenyl)carbamoylamino]hexanamide
CID 20646767
1-(4-acetylphenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 103709885
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
1-[(3R)-1-hydroxy-4-methylpentan-3-yl]-3-(4-nitrophenyl)urea
CID 97318875
(2S)-6-amino-N-(4-methylphenyl)-2-[(4-phenylphenyl)carbamoylamino]hexanamide
CID 91424137
1-(4-methylphenyl)-3-propan-2-yloxyurea
CID 5118851
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371
1-(1-amino-1-sulfanylidenebutan-2-yl)-3-(4-methylphenyl)urea
CID 61122605
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
1-(4-aminobutan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 115564848
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea (CID 106357297) is 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC(CCN)C(C)C)cc1.
What is the InChIKey of 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea?
The InChIKey is VRANKYBWHNNQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)13(8-9-15)17-14(18)16-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea?
1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea has a molecular weight of 249.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-methylpentan-3-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 106357297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).