1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea

C17H29N3O2 — CID 111926405

IUPAC1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
SMILESCCC(CC)(CO)NC(=O)Nc1cccc(N(C)C(C)C)c1
InChIInChI=1S/C17H29N3O2/c1-6-17(7-2,12-21)19-16(22)18-14-9-8-10-15(11-14)20(5)13(3)4/h8-11,13,21H,6-7,12H2,1-5H3,(H2,18,19,22)
InChIKeyQTEPZKKTSXJNOU-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.20
Rot. Bonds7

About 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea

1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea (PubChem CID 111926405) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
PubChem CID111926405
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
SMILESCCC(CC)(CO)NC(=O)Nc1cccc(N(C)C(C)C)c1
InChIInChI=1S/C17H29N3O2/c1-6-17(7-2,12-21)19-16(22)18-14-9-8-10-15(11-14)20(5)13(3)4/h8-11,13,21H,6-7,12H2,1-5H3,(H2,18,19,22)
InChIKeyQTEPZKKTSXJNOU-UHFFFAOYSA-N
XLogP3.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]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-[3-[ethyl(methyl)amino]phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111926234
1-(1-hydroxybutan-2-yl)-3-[3-[methyl(propan-2-yl)amino]phenyl]urea
CID 111111753
2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
CID 119883171
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
CID 56785425
7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
CID 119883127
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
1-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883155
1-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 111754586
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
4-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]oxane-4-carboxamide
CID 120941565
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide
CID 95233739

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
The IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea (CID 111926405) is 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea.
What is the SMILES notation for 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
The canonical SMILES for 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea is CCC(CC)(CO)NC(=O)Nc1cccc(N(C)C(C)C)c1.
What is the InChIKey of 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
The InChIKey is QTEPZKKTSXJNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-6-17(7-2,12-21)19-16(22)18-14-9-8-10-15(11-14)20(5)13(3)4/h8-11,13,21H,6-7,12H2,1-5H3,(H2,18,19,22).
What are the key properties of 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea?
1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea has a molecular weight of 307.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pentan-3-yl]-3-[3-[methyl(propan-2-yl)amino]phenyl]urea is sourced from PubChem (CID 111926405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).