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

C17H28N2O2 — CID 86943106

IUPAC1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCCCCCCNC(=O)NC(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-7-11-18-17(20)19-14(2)12-15-9-8-10-16(13-15)21-3/h8-10,13-14H,4-7,11-12H2,1-3H3,(H2,18,19,20)
InChIKeyVLWIWBJXMLSSAL-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.51
Rot. Bonds9

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

1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea (PubChem CID 86943106) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
PubChem CID86943106
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea
SMILESCCCCCCNC(=O)NC(C)Cc1cccc(OC)c1
InChIInChI=1S/C17H28N2O2/c1-4-5-6-7-11-18-17(20)19-14(2)12-15-9-8-10-16(13-15)21-3/h8-10,13-14H,4-7,11-12H2,1-3H3,(H2,18,19,20)
InChIKeyVLWIWBJXMLSSAL-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-methoxyphenyl)propan-2-yl]-3-(4-methylpentyl)urea
CID 86943125
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
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
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
1-(2-hydroxy-2-phenylpropyl)-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 111334657
3-methoxy-N-tridecylbenzamide
CID 139819898
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
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea (CID 86943106) is 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea is CCCCCCNC(=O)NC(C)Cc1cccc(OC)c1.
What is the InChIKey of 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
The InChIKey is VLWIWBJXMLSSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-5-6-7-11-18-17(20)19-14(2)12-15-9-8-10-16(13-15)21-3/h8-10,13-14H,4-7,11-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea?
1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea has a molecular weight of 292.42 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[1-(3-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 86943106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).