4-amino-N-butan-2-yl-N-methylbenzamide

C12H18N2O — CID 43272431

IUPAC4-amino-N-butan-2-yl-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-4-9(2)14(3)12(15)10-5-7-11(13)8-6-10/h5-9H,4,13H2,1-3H3
InChIKeyXLAOWSIBDFMQTQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.14
Rot. Bonds3

About 4-amino-N-butan-2-yl-N-methylbenzamide

4-amino-N-butan-2-yl-N-methylbenzamide (PubChem CID 43272431) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-N-methylbenzamide
PubChem CID43272431
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-amino-N-butan-2-yl-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H18N2O/c1-4-9(2)14(3)12(15)10-5-7-11(13)8-6-10/h5-9H,4,13H2,1-3H3
InChIKeyXLAOWSIBDFMQTQ-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

p-Aminohippuric acid
CID 2148
Procainamide
CID 4913
Procainamide Hydrochloride
CID 66068
N-Acetylprocainamide
CID 4342
Ameltolide
CID 13086
4-(Diethylamino)benzaldehyde
CID 67114
Acecainide Hydrochloride
CID 71417
4-Aminobenzamide
CID 76079
2-Amino-N-isopropylbenzamide
CID 94411
Declopramide
CID 70177
Ambasilide
CID 71270
4-amino-N,N-diethylbenzamide
CID 458760

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-N-methylbenzamide?
The IUPAC name of 4-amino-N-butan-2-yl-N-methylbenzamide (CID 43272431) is 4-amino-N-butan-2-yl-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-N-methylbenzamide?
The canonical SMILES for 4-amino-N-butan-2-yl-N-methylbenzamide is CCC(C)N(C)C(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-butan-2-yl-N-methylbenzamide?
The InChIKey is XLAOWSIBDFMQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-9(2)14(3)12(15)10-5-7-11(13)8-6-10/h5-9H,4,13H2,1-3H3.
What are the key properties of 4-amino-N-butan-2-yl-N-methylbenzamide?
4-amino-N-butan-2-yl-N-methylbenzamide has a molecular weight of 206.29 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-N-methylbenzamide is sourced from PubChem (CID 43272431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).