N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide

C18H27ClN2O — CID 55469245

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
SMILESCC(NC(=O)CN(C)C1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-14(15-9-11-16(19)12-10-15)20-18(22)13-21(2)17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,20,22)
InChIKeyIHHPSPDJNUZYGE-UHFFFAOYSA-N
MW322.88 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide

N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide (PubChem CID 55469245) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
PubChem CID55469245
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide
SMILESCC(NC(=O)CN(C)C1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-14(15-9-11-16(19)12-10-15)20-18(22)13-21(2)17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,20,22)
InChIKeyIHHPSPDJNUZYGE-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
2-[cyclohexyl(methyl)amino]-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 42913403
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543278
2-[[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053730
2-[cyclopropyl(methyl)amino]-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 42956358
2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[cyclohexyl-(4-ethoxyphenyl)sulfonylamino]acetamide
CID 28548561
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464739
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 77090509
N-[1-(4-chlorophenyl)ethyl]-2-[(4,6-dichloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-methylamino]acetamide
CID 112841445
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide (CID 55469245) is N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide is CC(NC(=O)CN(C)C1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide?
The InChIKey is IHHPSPDJNUZYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-14(15-9-11-16(19)12-10-15)20-18(22)13-21(2)17-7-5-3-4-6-8-17/h9-12,14,17H,3-8,13H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide has a molecular weight of 322.88 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[cycloheptyl(methyl)amino]acetamide is sourced from PubChem (CID 55469245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).