N-benzyl-2-(3-propan-2-ylanilino)acetamide

C18H22N2O — CID 28829787

IUPACN-benzyl-2-(3-propan-2-ylanilino)acetamide
SMILESCC(C)c1cccc(NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14(2)16-9-6-10-17(11-16)19-13-18(21)20-12-15-7-4-3-5-8-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyKPVJYZHPKARJCA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.54
Rot. Bonds6

About N-benzyl-2-(3-propan-2-ylanilino)acetamide

N-benzyl-2-(3-propan-2-ylanilino)acetamide (PubChem CID 28829787) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-2-(3-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-propan-2-ylanilino)acetamide
PubChem CID28829787
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-2-(3-propan-2-ylanilino)acetamide
SMILESCC(C)c1cccc(NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14(2)16-9-6-10-17(11-16)19-13-18(21)20-12-15-7-4-3-5-8-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyKPVJYZHPKARJCA-UHFFFAOYSA-N
XLogP3.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814812
methyl 2-(3-propan-2-ylanilino)acetate
CID 20824069
3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
N,N-dimethyl-2-(3-propan-2-ylanilino)acetamide
CID 28837936
3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 112765575
N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367300
N-[(4-methylphenyl)methyl]-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112814826
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
N-benzyl-2-(4-chloro-3-fluoroanilino)acetamide
CID 61062398
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-propan-2-ylanilino)acetamide?
The IUPAC name of N-benzyl-2-(3-propan-2-ylanilino)acetamide (CID 28829787) is N-benzyl-2-(3-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(3-propan-2-ylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(3-propan-2-ylanilino)acetamide is CC(C)c1cccc(NCC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-(3-propan-2-ylanilino)acetamide?
The InChIKey is KPVJYZHPKARJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(2)16-9-6-10-17(11-16)19-13-18(21)20-12-15-7-4-3-5-8-15/h3-11,14,19H,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-2-(3-propan-2-ylanilino)acetamide?
N-benzyl-2-(3-propan-2-ylanilino)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-propan-2-ylanilino)acetamide is sourced from PubChem (CID 28829787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).