N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

C20H27ClN2O — CID 9335484

IUPACN-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O/c1-13(17-2-4-18(21)5-3-17)22-12-19(24)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyKAPHIYCBMCWFQR-IVKJLDKCSA-N
MW346.90 g/mol
LogP4.08
Rot. Bonds5

About N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide

N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (PubChem CID 9335484) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
PubChem CID9335484
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC NameN-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O/c1-13(17-2-4-18(21)5-3-17)22-12-19(24)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyKAPHIYCBMCWFQR-IVKJLDKCSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
N-(1-adamantyl)-2-(benzhydrylamino)acetamide
CID 7971178
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9334846
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
N-butan-2-yl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 81354162
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(cyclopropylcarbamoyl)acetamide
CID 9335295
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310
N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897653
[2-(1-adamantylamino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376217
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 8636133

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide (CID 9335484) is N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
The InChIKey is KAPHIYCBMCWFQR-IVKJLDKCSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-13(17-2-4-18(21)5-3-17)22-12-19(24)23-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)/t13-,14?,15?,16?,20?/m0/s1.
What are the key properties of N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide?
N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide has a molecular weight of 346.90 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9335484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).