N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide

C21H27ClN2O2 — CID 18112585

IUPACN-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27ClN2O2/c1-24(13-14-3-2-4-18(22)8-14)19(25)12-23-20(26)21-9-15-5-16(10-21)7-17(6-15)11-21/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,23,26)
InChIKeyNLLCMXWEUDDSFG-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 18112585) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID18112585
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27ClN2O2/c1-24(13-14-3-2-4-18(22)8-14)19(25)12-23-20(26)21-9-15-5-16(10-21)7-17(6-15)11-21/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,23,26)
InChIKeyNLLCMXWEUDDSFG-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 29295661
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
2-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695230
3-chloro-N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 27795353
N-[(3-chlorophenyl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 78813337
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 31784528
N-[(3-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 112792374
2-(1-adamantyl)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7809187
N-[(3-chlorophenyl)methyl]-1-cyano-N,3-dimethylcyclobutane-1-carboxamide
CID 80502296
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190949

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 18112585) is N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is NLLCMXWEUDDSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-24(13-14-3-2-4-18(22)8-14)19(25)12-23-20(26)21-9-15-5-16(10-21)7-17(6-15)11-21/h2-4,8,15-17H,5-7,9-13H2,1H3,(H,23,26).
What are the key properties of N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 374.91 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 18112585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).