N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide

C15H22N2O2 — CID 81370950

IUPACN-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
SMILESCOc1ccc([C@H](C)NCC(=O)N(C)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-4-8-14(19-3)9-5-12)16-10-15(18)17(2)13-6-7-13/h4-5,8-9,11,13,16H,6-7,10H2,1-3H3/t11-/m0/s1
InChIKeyNTWUHTNDDZYDBK-NSHDSACASA-N
MW262.35 g/mol
LogP1.97
Rot. Bonds6

About N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide

N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide (PubChem CID 81370950) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
PubChem CID81370950
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
SMILESCOc1ccc([C@H](C)NCC(=O)N(C)C2CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(12-4-8-14(19-3)9-5-12)16-10-15(18)17(2)13-6-7-13/h4-5,8-9,11,13,16H,6-7,10H2,1-3H3/t11-/m0/s1
InChIKeyNTWUHTNDDZYDBK-NSHDSACASA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-methyl-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 99820860
N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
N-cyclopropyl-2-[1-(3-fluoro-4-methylsulfonylphenyl)ethylamino]-N-methylacetamide
CID 84598986
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
CID 54837999
2-[1-(4-methoxyphenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 66244703
(E)-4-[1-(4-methoxyphenyl)ethylamino]-3-methylbut-2-enoic acid
CID 103256077
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N-cyclopropyl-N-ethyl-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347384

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide (CID 81370950) is N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide is COc1ccc([C@H](C)NCC(=O)N(C)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
The InChIKey is NTWUHTNDDZYDBK-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(12-4-8-14(19-3)9-5-12)16-10-15(18)17(2)13-6-7-13/h4-5,8-9,11,13,16H,6-7,10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide has a molecular weight of 262.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide is sourced from PubChem (CID 81370950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).