5-amino-2-methoxy-N-methyl-N-pentylbenzamide

C14H22N2O2 — CID 61093600

IUPAC5-amino-2-methoxy-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-5-6-9-16(2)14(17)12-10-11(15)7-8-13(12)18-3/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeySHOBDRPUHVPQPA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds6

About 5-amino-2-methoxy-N-methyl-N-pentylbenzamide

5-amino-2-methoxy-N-methyl-N-pentylbenzamide (PubChem CID 61093600) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-methyl-N-pentylbenzamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-methyl-N-pentylbenzamide
PubChem CID61093600
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-amino-2-methoxy-N-methyl-N-pentylbenzamide
SMILESCCCCCN(C)C(=O)c1cc(N)ccc1OC
InChIInChI=1S/C14H22N2O2/c1-4-5-6-9-16(2)14(17)12-10-11(15)7-8-13(12)18-3/h7-8,10H,4-6,9,15H2,1-3H3
InChIKeySHOBDRPUHVPQPA-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-N-ethyl-2-methoxy-N-methylbenzamide
CID 61094369
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
5-amino-2-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79475810
nonyl 5-amino-2-methoxybenzoate
CID 63450276
5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
CID 62921862
4-bromo-N-butyl-2-methoxy-N-methylbenzamide
CID 78987650
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
ethyl 5-amino-2-methoxybenzoate
CID 22180184
methyl 4-[(5-amino-2-methylbenzoyl)-methylamino]butanoate
CID 61290799
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-methyl-N-pentylbenzamide?
The IUPAC name of 5-amino-2-methoxy-N-methyl-N-pentylbenzamide (CID 61093600) is 5-amino-2-methoxy-N-methyl-N-pentylbenzamide.
What is the SMILES notation for 5-amino-2-methoxy-N-methyl-N-pentylbenzamide?
The canonical SMILES for 5-amino-2-methoxy-N-methyl-N-pentylbenzamide is CCCCCN(C)C(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-2-methoxy-N-methyl-N-pentylbenzamide?
The InChIKey is SHOBDRPUHVPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-9-16(2)14(17)12-10-11(15)7-8-13(12)18-3/h7-8,10H,4-6,9,15H2,1-3H3.
What are the key properties of 5-amino-2-methoxy-N-methyl-N-pentylbenzamide?
5-amino-2-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 5-amino-2-methoxy-N-methyl-N-pentylbenzamide is sourced from PubChem (CID 61093600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).