4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide

C13H21N3O — CID 54963307

IUPAC4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
SMILESCC(CCN(C)C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-10(8-9-16(2)3)15-13(17)11-4-6-12(14)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyQSBDBSIUACMWDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.34
Rot. Bonds5

About 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide

4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide (PubChem CID 54963307) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
PubChem CID54963307
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide
SMILESCC(CCN(C)C)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-10(8-9-16(2)3)15-13(17)11-4-6-12(14)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyQSBDBSIUACMWDQ-UHFFFAOYSA-N
XLogP1.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 54963258
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-[4-(dimethylamino)butan-2-yl]-4-(methoxymethyl)benzamide
CID 60600720
4-amino-3,5-dichloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 82833362
4-amino-N-[2-[(4-aminobenzoyl)amino]propyl]benzamide
CID 3100251
N-[4-(dimethylamino)butan-2-yl]-4-fluoro-3-sulfanylbenzamide
CID 107025789
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
2-amino-6-chloro-N-[4-(dimethylamino)butan-2-yl]pyridine-4-carboxamide
CID 62185813
4-amino-N-[4-(dimethylamino)-2-methylbutan-2-yl]benzamide
CID 68881378
N-[4-(dimethylamino)butan-2-yl]-2-hydrazinylbenzamide
CID 62247539
2-amino-3-chloro-N-[4-(dimethylamino)butan-2-yl]benzamide
CID 113331728
4-amino-N-(3-ethylpentan-2-yl)benzamide
CID 55261321

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide (CID 54963307) is 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide is CC(CCN(C)C)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide?
The InChIKey is QSBDBSIUACMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(8-9-16(2)3)15-13(17)11-4-6-12(14)7-5-11/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide?
4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide has a molecular weight of 235.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 54963307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).