N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide

C18H22N2O — CID 43739518

IUPACN-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-13-9-10-17(20-15(3)21)11-18(13)19-12-14(2)16-7-5-4-6-8-16/h4-11,14,19H,12H2,1-3H3,(H,20,21)
InChIKeyUDXBZKKDPBBGIH-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.17
Rot. Bonds5

About N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide

N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide (PubChem CID 43739518) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
PubChem CID43739518
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(C)c2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-13-9-10-17(20-15(3)21)11-18(13)19-12-14(2)16-7-5-4-6-8-16/h4-11,14,19H,12H2,1-3H3,(H,20,21)
InChIKeyUDXBZKKDPBBGIH-UHFFFAOYSA-N
XLogP4.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-N-(2-phenylpropyl)aniline
CID 43103911
N-[4-methoxy-3-(2-phenylpropylcarbamoylamino)phenyl]acetamide
CID 47033004
N-[4-methyl-3-(1-phenylethylamino)phenyl]propanamide
CID 43677310
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62964215
N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
2,6-dimethyl-3-(2-phenylpropylamino)phenol
CID 43741638
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
2-methyl-N-[4-methyl-3-(2-phenylethylamino)phenyl]propanamide
CID 112839414
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
CID 55762719
N-[4-methyl-3-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]phenyl]propanamide
CID 55894112
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide (CID 43739518) is N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide is CC(=O)Nc1ccc(C)c(NCC(C)c2ccccc2)c1.
What is the InChIKey of N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide?
The InChIKey is UDXBZKKDPBBGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-9-10-17(20-15(3)21)11-18(13)19-12-14(2)16-7-5-4-6-8-16/h4-11,14,19H,12H2,1-3H3,(H,20,21).
What are the key properties of N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide?
N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-phenylpropylamino)phenyl]acetamide is sourced from PubChem (CID 43739518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).