5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide

C15H23N3O3 — CID 61138881

IUPAC5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H23N3O3/c1-4-10(2)18-14(19)7-8-17-15(20)12-9-11(16)5-6-13(12)21-3/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNUJRXLCLQKRSGF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.31
Rot. Bonds7

About 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide

5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide (PubChem CID 61138881) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
PubChem CID61138881
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cc(N)ccc1OC
InChIInChI=1S/C15H23N3O3/c1-4-10(2)18-14(19)7-8-17-15(20)12-9-11(16)5-6-13(12)21-3/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNUJRXLCLQKRSGF-UHFFFAOYSA-N
XLogP1.31
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
CID 55947023
[2-oxo-2-(pentan-2-ylamino)ethyl] 5-amino-2-methoxybenzoate
CID 61489769
3-[[2-(4-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737569
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-N-hexan-3-yl-2-methoxybenzamide
CID 62094748
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-butyl-2-ethoxybenzamide
CID 28689998
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide (CID 61138881) is 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide is CCC(C)NC(=O)CCNC(=O)c1cc(N)ccc1OC.
What is the InChIKey of 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is NUJRXLCLQKRSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-10(2)18-14(19)7-8-17-15(20)12-9-11(16)5-6-13(12)21-3/h5-6,9-10H,4,7-8,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide?
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 293.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 61138881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).