1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea

C16H26N2O2 — CID 110882611

IUPAC1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea
SMILESCCCN(CCO)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-10-18(11-12-19)16(20)17-15(5-2)14-8-6-13(3)7-9-14/h6-9,15,19H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyHTUPMWIKGZDBJI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.86
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea

1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea (PubChem CID 110882611) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea
PubChem CID110882611
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea
SMILESCCCN(CCO)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-10-18(11-12-19)16(20)17-15(5-2)14-8-6-13(3)7-9-14/h6-9,15,19H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyHTUPMWIKGZDBJI-UHFFFAOYSA-N
XLogP2.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110882607
1,1-bis(2-hydroxyethyl)-3-(1-phenylpropyl)urea
CID 173326019
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896607
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
2-methoxy-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 94014639
2-(cyclopropylamino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 60671799
N-[(1R)-1-(4-methylphenyl)propyl]cyclohexanecarboxamide
CID 92675793

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea (CID 110882611) is 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea is CCCN(CCO)C(=O)NC(CC)c1ccc(C)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea?
The InChIKey is HTUPMWIKGZDBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-18(11-12-19)16(20)17-15(5-2)14-8-6-13(3)7-9-14/h6-9,15,19H,4-5,10-12H2,1-3H3,(H,17,20).
What are the key properties of 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea?
1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea has a molecular weight of 278.40 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea is sourced from PubChem (CID 110882611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).