3-(butylamino)-N,4-dimethylbenzamide

C13H20N2O — CID 43726955

IUPAC3-(butylamino)-N,4-dimethylbenzamide
SMILESCCCCNc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C13H20N2O/c1-4-5-8-15-12-9-11(13(16)14-3)7-6-10(12)2/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyUMMMVTXJHFCMTP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.57
Rot. Bonds5

About 3-(butylamino)-N,4-dimethylbenzamide

3-(butylamino)-N,4-dimethylbenzamide (PubChem CID 43726955) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(butylamino)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(butylamino)-N,4-dimethylbenzamide
PubChem CID43726955
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(butylamino)-N,4-dimethylbenzamide
SMILESCCCCNc1cc(C(=O)NC)ccc1C
InChIInChI=1S/C13H20N2O/c1-4-5-8-15-12-9-11(13(16)14-3)7-6-10(12)2/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16)
InChIKeyUMMMVTXJHFCMTP-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(butylamino)-3-methoxy-N-methylbenzamide
CID 178010173
3-(2,2-dimethylpropylamino)-N,4-dimethylbenzamide
CID 61325560
methyl 3-(hexylamino)-4-methylbenzoate
CID 43228580
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-[(1-ethylpyrrol-2-yl)methylamino]-N,4-dimethylbenzamide
CID 66412324
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
3-[(2-hydroxy-5-methylphenyl)methylamino]-N,4-dimethylbenzamide
CID 63324723
N,4-dimethyl-3-(thiophen-3-ylmethylamino)benzamide
CID 43726886

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-N,4-dimethylbenzamide?
The IUPAC name of 3-(butylamino)-N,4-dimethylbenzamide (CID 43726955) is 3-(butylamino)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(butylamino)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(butylamino)-N,4-dimethylbenzamide is CCCCNc1cc(C(=O)NC)ccc1C.
What is the InChIKey of 3-(butylamino)-N,4-dimethylbenzamide?
The InChIKey is UMMMVTXJHFCMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-8-15-12-9-11(13(16)14-3)7-6-10(12)2/h6-7,9,15H,4-5,8H2,1-3H3,(H,14,16).
What are the key properties of 3-(butylamino)-N,4-dimethylbenzamide?
3-(butylamino)-N,4-dimethylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-N,4-dimethylbenzamide is sourced from PubChem (CID 43726955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).