1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea

C19H33N3O2 — CID 60545361

IUPAC1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea
SMILESCCN(CC)C(CNC(=O)Nc1ccc(C)cc1OC)CC(C)C
InChIInChI=1S/C19H33N3O2/c1-7-22(8-2)16(11-14(3)4)13-20-19(23)21-17-10-9-15(5)12-18(17)24-6/h9-10,12,14,16H,7-8,11,13H2,1-6H3,(H2,20,21,23)
InChIKeyOPMBKXHVRBBMNQ-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.88
Rot. Bonds9

About 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea

1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea (PubChem CID 60545361) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea
PubChem CID60545361
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea
SMILESCCN(CC)C(CNC(=O)Nc1ccc(C)cc1OC)CC(C)C
InChIInChI=1S/C19H33N3O2/c1-7-22(8-2)16(11-14(3)4)13-20-19(23)21-17-10-9-15(5)12-18(17)24-6/h9-10,12,14,16H,7-8,11,13H2,1-6H3,(H2,20,21,23)
InChIKeyOPMBKXHVRBBMNQ-UHFFFAOYSA-N
XLogP3.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-3-[2-(diethylamino)-4-methylpentyl]urea
CID 60569752
1-[(2S)-2-(diethylamino)-4-methylpentyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 51944228
1-(4-methyl-2-propoxyphenyl)-3-(2-methylpropyl)urea
CID 47262023
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
1-[2-(diethylamino)propyl]-3-(2-fluoro-4-methylphenyl)urea
CID 47032291
1-[(2S)-2-(diethylamino)propyl]-3-(2,5-dimethylphenyl)urea
CID 51943970
1-heptan-4-yl-3-(2-methoxy-4-methylphenyl)urea
CID 58607437
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
(2R)-2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbutanamide
CID 7079973
5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62966442
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65219817

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea?
The IUPAC name of 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea (CID 60545361) is 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea?
The canonical SMILES for 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea is CCN(CC)C(CNC(=O)Nc1ccc(C)cc1OC)CC(C)C.
What is the InChIKey of 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea?
The InChIKey is OPMBKXHVRBBMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-7-22(8-2)16(11-14(3)4)13-20-19(23)21-17-10-9-15(5)12-18(17)24-6/h9-10,12,14,16H,7-8,11,13H2,1-6H3,(H2,20,21,23).
What are the key properties of 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea?
1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea has a molecular weight of 335.49 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-4-methylpentyl]-3-(2-methoxy-4-methylphenyl)urea is sourced from PubChem (CID 60545361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).