N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide

C18H28N2O — CID 81367500

IUPACN-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
SMILESCc1cccc([C@@H](C)NCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-14-8-7-9-16(12-14)15(2)19-13-18(21)20-17-10-5-3-4-6-11-17/h7-9,12,15,17,19H,3-6,10-11,13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyUJNBDEAFYKIONP-OAHLLOKOSA-N
MW288.44 g/mol
LogP3.48
Rot. Bonds5

About N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide

N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide (PubChem CID 81367500) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
PubChem CID81367500
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
SMILESCc1cccc([C@@H](C)NCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-14-8-7-9-16(12-14)15(2)19-13-18(21)20-17-10-5-3-4-6-11-17/h7-9,12,15,17,19H,3-6,10-11,13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyUJNBDEAFYKIONP-OAHLLOKOSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
N-cycloheptyl-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]acetamide
CID 81363494
N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide
CID 111659609
N-cyclopropyl-2-[1-(3,4-dimethylphenyl)ethylamino]acetamide
CID 43568283
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide (CID 81367500) is N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide is Cc1cccc([C@@H](C)NCC(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
The InChIKey is UJNBDEAFYKIONP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-8-7-9-16(12-14)15(2)19-13-18(21)20-17-10-5-3-4-6-11-17/h7-9,12,15,17,19H,3-6,10-11,13H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81367500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).