N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide

C16H26N2O — CID 81360886

IUPACN-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
SMILESCc1cccc([C@H](C)NCC(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)8-9-17-16(19)11-18-14(4)15-7-5-6-13(3)10-15/h5-7,10,12,14,18H,8-9,11H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyVSKCLIAFUQTVGE-AWEZNQCLSA-N
MW262.40 g/mol
LogP2.81
Rot. Bonds7

About N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide

N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide (PubChem CID 81360886) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
PubChem CID81360886
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
SMILESCc1cccc([C@H](C)NCC(=O)NCCC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)8-9-17-16(19)11-18-14(4)15-7-5-6-13(3)10-15/h5-7,10,12,14,18H,8-9,11H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyVSKCLIAFUQTVGE-AWEZNQCLSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxypropyl)-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361482
N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367300
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523
3-cyano-N-(3-methylbutyl)-3-(3-methylphenyl)propanamide
CID 112511572
N-(3,3-diphenylpropyl)-2-(1-phenylethylamino)acetamide
CID 47006231
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
N-methyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81360695
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81382464
(E)-3-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]but-2-enoic acid
CID 103258616
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide (CID 81360886) is N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide is Cc1cccc([C@H](C)NCC(=O)NCCC(C)C)c1.
What is the InChIKey of N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide?
The InChIKey is VSKCLIAFUQTVGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)8-9-17-16(19)11-18-14(4)15-7-5-6-13(3)10-15/h5-7,10,12,14,18H,8-9,11H2,1-4H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide?
N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81360886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).