N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide

C15H22N2O3 — CID 18154986

IUPACN-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(NC(=O)CCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(19)16-9-8-13(18)17-11-6-5-7-12(10-11)20-4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySKVCZIGSNGOZOE-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds5

About N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 18154986) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID18154986
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1cccc(NC(=O)CCNC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)14(19)16-9-8-13(18)17-11-6-5-7-12(10-11)20-4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySKVCZIGSNGOZOE-UHFFFAOYSA-N
XLogP2.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[(3-fluorophenyl)methoxy]anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55890536
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18227129
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-(3-methoxyphenyl)-7-[(3,3,3-trifluoro-2,2-dihydroxypropanoyl)amino]heptanamide
CID 171343840
N-(3-methoxyphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015598
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
3-(2,3-dichloroanilino)-N-(3-methoxyphenyl)propanamide
CID 109039529
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide (CID 18154986) is N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide is COc1cccc(NC(=O)CCNC(=O)C(C)(C)C)c1.
What is the InChIKey of N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is SKVCZIGSNGOZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)14(19)16-9-8-13(18)17-11-6-5-7-12(10-11)20-4/h5-7,10H,8-9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18154986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).