N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide

C18H22N2O — CID 62049518

IUPACN-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
SMILESCCC(NCc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-3-18(16-7-5-4-6-8-16)19-13-15-9-11-17(12-10-15)20-14(2)21/h4-12,18-19H,3,13H2,1-2H3,(H,20,21)
InChIKeyNXXDVATVAYDQOY-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.89
Rot. Bonds6

About N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide

N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide (PubChem CID 62049518) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
PubChem CID62049518
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide
SMILESCCC(NCc1ccc(NC(C)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-3-18(16-7-5-4-6-8-16)19-13-15-9-11-17(12-10-15)20-14(2)21/h4-12,18-19H,3,13H2,1-2H3,(H,20,21)
InChIKeyNXXDVATVAYDQOY-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
N-[4-[[[(1S)-1-(2-hydroxyphenyl)propyl]amino]methyl]phenyl]acetamide
CID 99822871
N-[4-[[[(1S)-1-phenylpropyl]amino]methyl]phenyl]ethanesulfonamide
CID 97212917
N-[(4-cyclopropylphenyl)methyl]-1-phenylpropan-1-amine
CID 79979602
2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
CID 27856977
methyl 5-[(1-phenylpropylamino)methyl]furan-2-carboxylate
CID 62304868
(4-acetamidophenyl)methyl-[(1R)-1-phenylethyl]azanium
CID 7160969
1-[4-(aminomethyl)phenyl]-3-(1-phenylpropyl)urea
CID 62306433
N'-hydroxy-4-[(1-phenylpropylamino)methyl]benzenecarboximidamide
CID 77030088
N-[4-(2-amino-2-phenylethyl)phenyl]acetamide
CID 62719671
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide (CID 62049518) is N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide is CCC(NCc1ccc(NC(C)=O)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide?
The InChIKey is NXXDVATVAYDQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-18(16-7-5-4-6-8-16)19-13-15-9-11-17(12-10-15)20-14(2)21/h4-12,18-19H,3,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide?
N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-phenylpropylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 62049518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).