3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide

C16H24N2O3 — CID 113122548

IUPAC3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(C(C)=O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)18(16(2,3)4)10-9-15(20)17-13-7-6-8-14(11-13)21-5/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyRPBJLONZHPNMAW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.67
Rot. Bonds5

About 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide

3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide (PubChem CID 113122548) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
PubChem CID113122548
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN(C(C)=O)C(C)(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(19)18(16(2,3)4)10-9-15(20)17-13-7-6-8-14(11-13)21-5/h6-8,11H,9-10H2,1-5H3,(H,17,20)
InChIKeyRPBJLONZHPNMAW-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(tert-butyl)amino]-N-(3-methylphenyl)propanamide
CID 113122510
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113122543
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
3-[acetyl(3-methylbutyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113122930
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
CID 113166199
2-[[3-(3-methoxyanilino)-3-oxopropyl]-methylamino]propanoic acid;hydrochloride
CID 119913523
3-[acetyl(tert-butyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113122554
4-hydroxy-N-(3-methoxyphenyl)pentanamide
CID 79017987

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide (CID 113122548) is 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN(C(C)=O)C(C)(C)C)c1.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is RPBJLONZHPNMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(19)18(16(2,3)4)10-9-15(20)17-13-7-6-8-14(11-13)21-5/h6-8,11H,9-10H2,1-5H3,(H,17,20).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide?
3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 113122548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).