2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide

C14H22N2O2 — CID 113305134

IUPAC2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-9(2)10(3)16(4)14(17)12-7-6-11(18-5)8-13(12)15/h6-10H,15H2,1-5H3
InChIKeyDPDTWOCLNDWWTI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide

2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 113305134) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID113305134
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)N(C)C(C)C(C)C)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-9(2)10(3)16(4)14(17)12-7-6-11(18-5)8-13(12)15/h6-10H,15H2,1-5H3
InChIKeyDPDTWOCLNDWWTI-UHFFFAOYSA-N
XLogP2.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
2-amino-4-methoxy-N-propan-2-ylbenzamide
CID 14274445
2-amino-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 115413065
2-amino-N,5-dimethyl-N-(3-methylbutan-2-yl)benzamide
CID 62510545
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703
1-(2-amino-4-methoxyphenyl)-2,2-dichloroethanone
CID 45117929
6-amino-N-methyl-N-(3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 103542861
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 63223234
N-(2-amino-4-methoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569639
2-[(2-amino-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 80504248
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide (CID 113305134) is 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide is COc1ccc(C(=O)N(C)C(C)C(C)C)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is DPDTWOCLNDWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)10(3)16(4)14(17)12-7-6-11(18-5)8-13(12)15/h6-10H,15H2,1-5H3.
What are the key properties of 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide?
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 113305134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).