3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide

C16H25N3O2 — CID 119503824

IUPAC3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
SMILESCNCCNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-15(20)19-14-6-5-13(10-12(14)3)16(21)18-8-7-17-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyHALPXJAYBBEPBO-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.93
Rot. Bonds7

About 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide

3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide (PubChem CID 119503824) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
PubChem CID119503824
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
SMILESCNCCNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1
InChIInChI=1S/C16H25N3O2/c1-11(2)9-15(20)19-14-6-5-13(10-12(14)3)16(21)18-8-7-17-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyHALPXJAYBBEPBO-UHFFFAOYSA-N
XLogP1.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.93
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-aminopropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119408504
6-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]hexanoic acid
CID 119220067
4-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168800
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175
2-[2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242191
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
N-(2-amino-2-methylpropyl)-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119630091
(2R)-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119244295
3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 111471383
N-(2-aminoethyl)-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119382331
(2S,3S)-3-methyl-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]pentanoic acid
CID 119194180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide (CID 119503824) is 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide is CNCCNC(=O)c1ccc(NC(=O)CC(C)C)c(C)c1.
What is the InChIKey of 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide?
The InChIKey is HALPXJAYBBEPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)9-15(20)19-14-6-5-13(10-12(14)3)16(21)18-8-7-17-4/h5-6,10-11,17H,7-9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide?
3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide is sourced from PubChem (CID 119503824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).