2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide

C21H29ClN2O — CID 8544214

IUPAC2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide
SMILESC[C@H](NCC(=O)NCc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29ClN2O/c1-14(21-9-16-5-17(10-21)7-18(6-16)11-21)23-13-20(25)24-12-15-3-2-4-19(22)8-15/h2-4,8,14,16-18,23H,5-7,9-13H2,1H3,(H,24,25)/t14-,16?,17?,18?,21?/m0/s1
InChIKeyFQUYXUWPBPCWHY-OSONQDNFSA-N
MW360.93 g/mol
LogP4.15
Rot. Bonds6

About 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide

2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 8544214) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID8544214
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC Name2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide
SMILESC[C@H](NCC(=O)NCc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H29ClN2O/c1-14(21-9-16-5-17(10-21)7-18(6-16)11-21)23-13-20(25)24-12-15-3-2-4-19(22)8-15/h2-4,8,14,16-18,23H,5-7,9-13H2,1H3,(H,24,25)/t14-,16?,17?,18?,21?/m0/s1
InChIKeyFQUYXUWPBPCWHY-OSONQDNFSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
N-[(3-chlorophenyl)methyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397735
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
3-amino-N-[(3-chlorophenyl)methyl]butanamide;hydrochloride
CID 119673570
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
[(1R)-1-(3-chlorophenyl)ethyl]-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]azanium
CID 9331600
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 18076207

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide (CID 8544214) is 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide is C[C@H](NCC(=O)NCc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is FQUYXUWPBPCWHY-OSONQDNFSA-N. The full InChI is InChI=1S/C21H29ClN2O/c1-14(21-9-16-5-17(10-21)7-18(6-16)11-21)23-13-20(25)24-12-15-3-2-4-19(22)8-15/h2-4,8,14,16-18,23H,5-7,9-13H2,1H3,(H,24,25)/t14-,16?,17?,18?,21?/m0/s1.
What are the key properties of 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide?
2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 360.93 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(1-adamantyl)ethyl]amino]-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 8544214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).