N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide

C20H25N3O4 — CID 119498635

IUPACN-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)NCCC(C)N)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13(21)9-10-22-20(25)15-11-17(26-2)18(27-3)12-16(15)23-19(24)14-7-5-4-6-8-14/h4-8,11-13H,9-10,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQWCVICUQLNZVOB-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.42
Rot. Bonds8

About N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide

N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide (PubChem CID 119498635) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide
PubChem CID119498635
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)NCCC(C)N)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13(21)9-10-22-20(25)15-11-17(26-2)18(27-3)12-16(15)23-19(24)14-7-5-4-6-8-14/h4-8,11-13H,9-10,21H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQWCVICUQLNZVOB-UHFFFAOYSA-N
XLogP2.42
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-(3-aminobutyl)-4,5-dimethoxy-2-nitrobenzamide
CID 63253631
N-[4-(2-aminopentanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 119265950
N-[2,5-dimethoxy-4-(2-methylpentanoylamino)phenyl]benzamide
CID 4035607
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
N-(3-aminobutyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119494813
N-(2-amino-5-methoxy-4-methylphenyl)benzamide;hydrochloride
CID 172831967
N-(4-amino-2,5-dimethoxyphenyl)benzamide;ethane;molecular hydrogen
CID 142075017
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide?
The IUPAC name of N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide (CID 119498635) is N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide is COc1cc(NC(=O)c2ccccc2)c(C(=O)NCCC(C)N)cc1OC.
What is the InChIKey of N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide?
The InChIKey is QWCVICUQLNZVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(21)9-10-22-20(25)15-11-17(26-2)18(27-3)12-16(15)23-19(24)14-7-5-4-6-8-14/h4-8,11-13H,9-10,21H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide?
N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-benzamido-4,5-dimethoxybenzamide is sourced from PubChem (CID 119498635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).