N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide

C15H23N3O2 — CID 62639345

IUPACN-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
SMILESCNC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(16-5)13(19)17-12-8-6-11(7-9-12)14(20)18-15(2,3)4/h6-10,16H,1-5H3,(H,17,19)(H,18,20)
InChIKeyDFKYQJQKDNDMNC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds4

About N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide

N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide (PubChem CID 62639345) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
PubChem CID62639345
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide
SMILESCNC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-10(16-5)13(19)17-12-8-6-11(7-9-12)14(20)18-15(2,3)4/h6-10,16H,1-5H3,(H,17,19)(H,18,20)
InChIKeyDFKYQJQKDNDMNC-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
N-tert-butyl-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17199498
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]butanediamide
CID 119956305
4-[(2-bromo-2-methylpropanoyl)amino]-N-tert-butylbenzamide
CID 114327520
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794
N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
CID 47072533
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
CID 119703080
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide?
The IUPAC name of N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide (CID 62639345) is N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide is CNC(C)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide?
The InChIKey is DFKYQJQKDNDMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(16-5)13(19)17-12-8-6-11(7-9-12)14(20)18-15(2,3)4/h6-10,16H,1-5H3,(H,17,19)(H,18,20).
What are the key properties of N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide?
N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(methylamino)propanoylamino]benzamide is sourced from PubChem (CID 62639345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).