6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide

C16H25N3O2 — CID 43700728

IUPAC6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CCCCCN)c1
InChIInChI=1S/C16H25N3O2/c1-3-15(20)18-13-9-8-12(2)14(11-13)19-16(21)7-5-4-6-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZPDCCBJRCHEYHL-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.80
Rot. Bonds8

About 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide

6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide (PubChem CID 43700728) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
PubChem CID43700728
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CCCCCN)c1
InChIInChI=1S/C16H25N3O2/c1-3-15(20)18-13-9-8-12(2)14(11-13)19-16(21)7-5-4-6-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZPDCCBJRCHEYHL-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
7-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]heptanamide
CID 119780750
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[3-(4-aminobutanoylamino)-4-methylphenyl]benzamide
CID 39193375
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide?
The IUPAC name of 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide (CID 43700728) is 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide?
The canonical SMILES for 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide is CCC(=O)Nc1ccc(C)c(NC(=O)CCCCCN)c1.
What is the InChIKey of 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide?
The InChIKey is ZPDCCBJRCHEYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-15(20)18-13-9-8-12(2)14(11-13)19-16(21)7-5-4-6-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide?
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide has a molecular weight of 291.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide is sourced from PubChem (CID 43700728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).