N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

C18H29N3O2 — CID 54831572

IUPACN-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCCN(CCC)C(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-5-10-21(11-6-2)17(22)13-19-15-8-7-9-16(12-15)20-18(23)14(3)4/h7-9,12,14,19H,5-6,10-11,13H2,1-4H3,(H,20,23)
InChIKeyCOKINLAPKIEFLS-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.34
Rot. Bonds9

About N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (PubChem CID 54831572) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
PubChem CID54831572
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
SMILESCCCN(CCC)C(=O)CNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C18H29N3O2/c1-5-10-21(11-6-2)17(22)13-19-15-8-7-9-16(12-15)20-18(23)14(3)4/h7-9,12,14,19H,5-6,10-11,13H2,1-4H3,(H,20,23)
InChIKeyCOKINLAPKIEFLS-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide 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

N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831682
2-(3-chloroanilino)-N,N-dipropylacetamide
CID 39367463
2-[3-(2-methylpropoxy)anilino]-N,N-dipropylacetamide
CID 54823859
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
2-(2,6-diethylanilino)-N,N-dipropylacetamide
CID 109006644
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide (CID 54831572) is N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is CCCN(CCC)C(=O)CNc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is COKINLAPKIEFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-10-21(11-6-2)17(22)13-19-15-8-7-9-16(12-15)20-18(23)14(3)4/h7-9,12,14,19H,5-6,10-11,13H2,1-4H3,(H,20,23).
What are the key properties of N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dipropylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 54831572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).