5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide

C16H25N3O2 — CID 82850255

IUPAC5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)16(21)19-14-8-5-7-13(10-14)18-15(20)9-4-6-12(3)17/h5,7-8,10-12H,4,6,9,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUVBPEHPKTVADHB-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.74
Rot. Bonds7

About 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide

5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide (PubChem CID 82850255) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
PubChem CID82850255
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)16(21)19-14-8-5-7-13(10-14)18-15(20)9-4-6-12(3)17/h5,7-8,10-12H,4,6,9,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUVBPEHPKTVADHB-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide 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,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
CID 82852468
methyl 4-[3-(2-methylpropanoylamino)anilino]-4-oxobutanoate
CID 17189183
5-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 82851014
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
5-amino-N-(3,4-difluorophenyl)hexanamide
CID 82848790
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide (CID 82850255) is 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide is CC(N)CCCC(=O)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide?
The InChIKey is UVBPEHPKTVADHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)16(21)19-14-8-5-7-13(10-14)18-15(20)9-4-6-12(3)17/h5,7-8,10-12H,4,6,9,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide?
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide has a molecular weight of 291.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide is sourced from PubChem (CID 82850255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).