2-amino-4-methoxy-N-methyl-N-pentylbenzamide

C14H22N2O2 — CID 113305128

IUPAC2-amino-4-methoxy-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(OC)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-5-6-9-16(2)14(17)12-8-7-11(18-3)10-13(12)15/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyREHPLTOHUJOCME-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds6

About 2-amino-4-methoxy-N-methyl-N-pentylbenzamide

2-amino-4-methoxy-N-methyl-N-pentylbenzamide (PubChem CID 113305128) 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-pentylbenzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-methyl-N-pentylbenzamide
PubChem CID113305128
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-4-methoxy-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1ccc(OC)cc1N
InChIInChI=1S/C14H22N2O2/c1-4-5-6-9-16(2)14(17)12-8-7-11(18-3)10-13(12)15/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeyREHPLTOHUJOCME-UHFFFAOYSA-N
XLogP2.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-N-methyl-N-pentylbenzamide
CID 61093600
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767
2-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 113305134
4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
CID 81236445
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
2-amino-N-ethyl-4-methoxy-N-phenylbenzamide
CID 115412453
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-methyl-N-pentylbenzamide?
The IUPAC name of 2-amino-4-methoxy-N-methyl-N-pentylbenzamide (CID 113305128) is 2-amino-4-methoxy-N-methyl-N-pentylbenzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-methyl-N-pentylbenzamide?
The canonical SMILES for 2-amino-4-methoxy-N-methyl-N-pentylbenzamide is CCCCCN(C)C(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-4-methoxy-N-methyl-N-pentylbenzamide?
The InChIKey is REHPLTOHUJOCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-9-16(2)14(17)12-8-7-11(18-3)10-13(12)15/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 2-amino-4-methoxy-N-methyl-N-pentylbenzamide?
2-amino-4-methoxy-N-methyl-N-pentylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.54, 6 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-pentylbenzamide is sourced from PubChem (CID 113305128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).