N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide

C20H25N3O3 — CID 120603471

IUPACN-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
SMILESCOc1ccc(C(C)CC(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C20H25N3O3/c1-14(15-7-9-16(26-2)10-8-15)13-19(24)23-18-6-4-3-5-17(18)20(25)22-12-11-21/h3-10,14H,11-13,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyANXPPSQMTMAURV-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.52
Rot. Bonds8

About N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide

N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide (PubChem CID 120603471) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
PubChem CID120603471
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
SMILESCOc1ccc(C(C)CC(=O)Nc2ccccc2C(=O)NCCN)cc1
InChIInChI=1S/C20H25N3O3/c1-14(15-7-9-16(26-2)10-8-15)13-19(24)23-18-6-4-3-5-17(18)20(25)22-12-11-21/h3-10,14H,11-13,21H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyANXPPSQMTMAURV-UHFFFAOYSA-N
XLogP2.52
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
N-(2-aminoethyl)-2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]benzamide
CID 120604289
N-(3-ethoxypropyl)-2-(3-phenylbutanoylamino)benzamide
CID 17311962
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824
2-[(4-amino-3-methoxybutanoyl)amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120586728
N-(2-aminoethyl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide;hydrochloride
CID 120604529
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
N-(2-aminoethyl)-2-[3-(4-ethoxyphenyl)propanoylamino]benzamide
CID 120603849

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide?
The IUPAC name of N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide (CID 120603471) is N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide is COc1ccc(C(C)CC(=O)Nc2ccccc2C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide?
The InChIKey is ANXPPSQMTMAURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(15-7-9-16(26-2)10-8-15)13-19(24)23-18-6-4-3-5-17(18)20(25)22-12-11-21/h3-10,14H,11-13,21H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide?
N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide is sourced from PubChem (CID 120603471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).