2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide

C16H26N2O2 — CID 61024007

IUPAC2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(C(C)(NC(C)CC)C(N)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-5-11-20-14-9-7-13(8-10-14)16(4,15(17)19)18-12(3)6-2/h7-10,12,18H,5-6,11H2,1-4H3,(H2,17,19)
InChIKeyRHZLYALGVWLPIB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.56
Rot. Bonds8

About 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide

2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide (PubChem CID 61024007) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide
PubChem CID61024007
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(C(C)(NC(C)CC)C(N)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-5-11-20-14-9-7-13(8-10-14)16(4,15(17)19)18-12(3)6-2/h7-10,12,18H,5-6,11H2,1-4H3,(H2,17,19)
InChIKeyRHZLYALGVWLPIB-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
3-(ethylamino)-3-(4-propoxyphenyl)butanamide
CID 65234068
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
2-methyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 61221118
2-(4-propoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60998457
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)propanamide
CID 54908499
tert-butyl N-[1-hydroxy-1-(4-propoxyphenyl)ethyl]carbamate
CID 174717157

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide?
The IUPAC name of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide (CID 61024007) is 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide is CCCOc1ccc(C(C)(NC(C)CC)C(N)=O)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide?
The InChIKey is RHZLYALGVWLPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-11-20-14-9-7-13(8-10-14)16(4,15(17)19)18-12(3)6-2/h7-10,12,18H,5-6,11H2,1-4H3,(H2,17,19).
What are the key properties of 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide?
2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 61024007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).