N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide

C16H25NO3 — CID 139749507

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CC(C)NC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C16H25NO3/c1-11(17-15(18)16(2,3)4)9-12-7-8-13(19-5)14(10-12)20-6/h7-8,10-11H,9H2,1-6H3,(H,17,18)
InChIKeyDVLVDYGBIKKALI-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 139749507) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID139749507
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(CC(C)NC(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C16H25NO3/c1-11(17-15(18)16(2,3)4)9-12-7-8-13(19-5)14(10-12)20-6/h7-8,10-11H,9H2,1-6H3,(H,17,18)
InChIKeyDVLVDYGBIKKALI-UHFFFAOYSA-N
XLogP2.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
CID 43545329
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119777153
tert-butyl (2S)-2-[[(2R)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]pentanoate
CID 97308678
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)-N,3-dimethylbutanamide
CID 42706026
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
(1R,2S,4S)-N-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124606360
N-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide
CID 21336990
3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide
CID 119777160
N-[1-(3-methoxy-4-prop-2-ynoxyphenyl)propan-2-yl]-2-methyl-2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]propanamide
CID 21336988

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide (CID 139749507) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide is COc1ccc(CC(C)NC(=O)C(C)(C)C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is DVLVDYGBIKKALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11(17-15(18)16(2,3)4)9-12-7-8-13(19-5)14(10-12)20-6/h7-8,10-11H,9H2,1-6H3,(H,17,18).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 139749507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).