N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide

C19H23N3O3 — CID 39194039

IUPACN-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2)c(NC(=O)CCCN)c1
InChIInChI=1S/C19H23N3O3/c1-13-5-7-14(8-6-13)19(24)22-16-10-9-15(25-2)12-17(16)21-18(23)4-3-11-20/h5-10,12H,3-4,11,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGGOZZSAVZVLJBP-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds7

About N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide

N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide (PubChem CID 39194039) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
PubChem CID39194039
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C)cc2)c(NC(=O)CCCN)c1
InChIInChI=1S/C19H23N3O3/c1-13-5-7-14(8-6-13)19(24)22-16-10-9-15(25-2)12-17(16)21-18(23)4-3-11-20/h5-10,12H,3-4,11,20H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyGGOZZSAVZVLJBP-UHFFFAOYSA-N
XLogP2.93
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
N-[4-methoxy-2-(3-methylbutanoylamino)phenyl]-4-(3-methylbutanoylamino)benzamide
CID 17341352
2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
[2-[2-[(4-methoxybenzoyl)amino]-4,5-dimethylanilino]-2-oxoethyl] acetate
CID 53316566
3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307883
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
N-(2-amino-5-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119421073

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide (CID 39194039) is N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide is COc1ccc(NC(=O)c2ccc(C)cc2)c(NC(=O)CCCN)c1.
What is the InChIKey of N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide?
The InChIKey is GGOZZSAVZVLJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-7-14(8-6-13)19(24)22-16-10-9-15(25-2)12-17(16)21-18(23)4-3-11-20/h5-10,12H,3-4,11,20H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide?
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide is sourced from PubChem (CID 39194039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).