3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide

C16H26N2O2 — CID 129372522

IUPAC3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide
SMILESCOc1ccc([C@H](NCCC(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)16(17-11-10-15(19)18(3)4)13-6-8-14(20-5)9-7-13/h6-9,12,16-17H,10-11H2,1-5H3/t16-/m1/s1
InChIKeyAIGAOISHXDLJJC-MRXNPFEDSA-N
MW278.40 g/mol
LogP2.46
Rot. Bonds7

About 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide

3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide (PubChem CID 129372522) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide
PubChem CID129372522
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide
SMILESCOc1ccc([C@H](NCCC(=O)N(C)C)C(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)16(17-11-10-15(19)18(3)4)13-6-8-14(20-5)9-7-13/h6-9,12,16-17H,10-11H2,1-5H3/t16-/m1/s1
InChIKeyAIGAOISHXDLJJC-MRXNPFEDSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
CID 124515490
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872
3-[1-(3-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934760
3-[[(1S)-1-(2-bromo-4-methoxyphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 97336153
3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
N-[1-(4-methoxyphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 66195262
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934619
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide (CID 129372522) is 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide is COc1ccc([C@H](NCCC(=O)N(C)C)C(C)C)cc1.
What is the InChIKey of 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide?
The InChIKey is AIGAOISHXDLJJC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)16(17-11-10-15(19)18(3)4)13-6-8-14(20-5)9-7-13/h6-9,12,16-17H,10-11H2,1-5H3/t16-/m1/s1.
What are the key properties of 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide?
3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 129372522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).