2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide

C15H24N2O2 — CID 81373699

IUPAC2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCOc1cccc([C@H](C)NCC(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-17-15(18)10-16-12(3)13-6-5-7-14(8-13)19-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyNZOXHVSZVPPHFQ-LBPRGKRZSA-N
MW264.37 g/mol
LogP2.12
Rot. Bonds7

About 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide

2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 81373699) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID81373699
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCOc1cccc([C@H](C)NCC(=O)NCC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-11(2)9-17-15(18)10-16-12(3)13-6-5-7-14(8-13)19-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyNZOXHVSZVPPHFQ-LBPRGKRZSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-(2-methylpropyl)acetamide
CID 115900197
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
N-butan-2-yl-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373552
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
2-chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]prop-2-en-1-amine
CID 81373833
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide (CID 81373699) is 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide is COc1cccc([C@H](C)NCC(=O)NCC(C)C)c1.
What is the InChIKey of 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is NZOXHVSZVPPHFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-17-15(18)10-16-12(3)13-6-5-7-14(8-13)19-4/h5-8,11-12,16H,9-10H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 81373699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).