1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea

C16H27N3O2 — CID 111116846

IUPAC1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
SMILESCCC(CC)C(O)CNC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C16H27N3O2/c1-5-12(6-2)15(20)11-17-16(21)18-13-9-7-8-10-14(13)19(3)4/h7-10,12,15,20H,5-6,11H2,1-4H3,(H2,17,18,21)
InChIKeyASFWFDPZMZWCKU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.67
Rot. Bonds7

About 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea

1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea (PubChem CID 111116846) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
PubChem CID111116846
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
SMILESCCC(CC)C(O)CNC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C16H27N3O2/c1-5-12(6-2)15(20)11-17-16(21)18-13-9-7-8-10-14(13)19(3)4/h7-10,12,15,20H,5-6,11H2,1-4H3,(H2,17,18,21)
InChIKeyASFWFDPZMZWCKU-UHFFFAOYSA-N
XLogP2.67
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)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-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
CID 111452985
1-[2-(dimethylamino)phenyl]-3-(2-ethoxyethyl)urea
CID 47248219
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
methyl (2S)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801098
methyl (2R)-2-[[2-(dimethylamino)phenyl]carbamoyl]butanoate
CID 99801099
1-[2-(dimethylamino)phenyl]-3-phenylurea
CID 110472237
1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388887
1-(3-ethyl-2-hydroxypentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 111116780
1-[3-[(dimethylamino)methyl]phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111115089
2-cyano-N-[2-(dimethylamino)phenyl]butanamide
CID 106759912
2-[[2-(dimethylamino)phenyl]carbamoylamino]-3-methylpentanoic acid
CID 106760369
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea?
The IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea (CID 111116846) is 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea is CCC(CC)C(O)CNC(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea?
The InChIKey is ASFWFDPZMZWCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-12(6-2)15(20)11-17-16(21)18-13-9-7-8-10-14(13)19(3)4/h7-10,12,15,20H,5-6,11H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea?
1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea has a molecular weight of 293.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea is sourced from PubChem (CID 111116846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).