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

C20H26ClNO — CID 7323929

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26ClNO/c1-13(22-19(23)9-14-2-4-18(21)5-3-14)20-10-15-6-16(11-20)8-17(7-15)12-20/h2-5,13,15-17H,6-12H2,1H3,(H,22,23)/t13-,15?,16?,17?,20?/m0/s1
InChIKeyQMUSXEVVGOSOSK-UGFPPAMCSA-N
MW331.89 g/mol
LogP4.60
Rot. Bonds4

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

N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide (PubChem CID 7323929) has the molecular formula C20H26ClNO and a molecular weight of 331.89 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
PubChem CID7323929
Molecular FormulaC20H26ClNO
Molecular Weight331.89 g/mol
Exact Mass331.17
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26ClNO/c1-13(22-19(23)9-14-2-4-18(21)5-3-14)20-10-15-6-16(11-20)8-17(7-15)12-20/h2-5,13,15-17H,6-12H2,1H3,(H,22,23)/t13-,15?,16?,17?,20?/m0/s1
InChIKeyQMUSXEVVGOSOSK-UGFPPAMCSA-N
XLogP4.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750244
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7929651
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 7929622
N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759013
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 7724671
N-[1-(1-adamantyl)ethyl]-2-aminoacetamide;hydrochloride
CID 119263793

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide (CID 7323929) is N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide is C[C@H](NC(=O)Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is QMUSXEVVGOSOSK-UGFPPAMCSA-N. The full InChI is InChI=1S/C20H26ClNO/c1-13(22-19(23)9-14-2-4-18(21)5-3-14)20-10-15-6-16(11-20)8-17(7-15)12-20/h2-5,13,15-17H,6-12H2,1H3,(H,22,23)/t13-,15?,16?,17?,20?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 331.89 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 7323929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).