1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea

C17H28N2O2 — CID 86943125

IUPAC1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
SMILESCOc1cccc(CC(C)NC(=O)NCCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)7-6-10-18-17(20)19-14(3)11-15-8-5-9-16(12-15)21-4/h5,8-9,12-14H,6-7,10-11H2,1-4H3,(H2,18,19,20)
InChIKeyUONFXNCASKFKFR-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.36
Rot. Bonds8

About 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea

1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea (PubChem CID 86943125) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
PubChem CID86943125
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
SMILESCOc1cccc(CC(C)NC(=O)NCCCC(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-13(2)7-6-10-18-17(20)19-14(3)11-15-8-5-9-16(12-15)21-4/h5,8-9,12-14H,6-7,10-11H2,1-4H3,(H2,18,19,20)
InChIKeyUONFXNCASKFKFR-UHFFFAOYSA-N
XLogP3.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943106
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 86943734
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657
5-[(3-methoxyphenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686299
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
1-(3,4-difluorophenyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943626
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
N-(4-bromopentyl)-2-(3-methoxyphenyl)acetamide
CID 106130409

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea (CID 86943125) is 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea is COc1cccc(CC(C)NC(=O)NCCCC(C)C)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea?
The InChIKey is UONFXNCASKFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)7-6-10-18-17(20)19-14(3)11-15-8-5-9-16(12-15)21-4/h5,8-9,12-14H,6-7,10-11H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea?
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea has a molecular weight of 292.42 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea is sourced from PubChem (CID 86943125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).