N-(3-amino-2-methylphenyl)-4-phenylbutanamide

C17H20N2O — CID 28939602

IUPACN-(3-amino-2-methylphenyl)-4-phenylbutanamide
SMILESCc1c(N)cccc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13-15(18)10-6-11-16(13)19-17(20)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11H,5,9,12,18H2,1H3,(H,19,20)
InChIKeyTWWPGZGRQIWADP-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds5

About N-(3-amino-2-methylphenyl)-4-phenylbutanamide

N-(3-amino-2-methylphenyl)-4-phenylbutanamide (PubChem CID 28939602) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-4-phenylbutanamide
PubChem CID28939602
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3-amino-2-methylphenyl)-4-phenylbutanamide
SMILESCc1c(N)cccc1NC(=O)CCCc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13-15(18)10-6-11-16(13)19-17(20)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11H,5,9,12,18H2,1H3,(H,19,20)
InChIKeyTWWPGZGRQIWADP-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-methylphenyl)-4-phenylmethoxybutanamide
CID 16784272
N-(5-amino-2-bromo-4-methylphenyl)-4-phenylbutanamide
CID 104814385
N-(3-amino-2-methylphenyl)-4-propoxybutanamide
CID 43247848
N-(3-amino-2-methylphenyl)-3-(dimethylamino)propanamide
CID 16792974
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N-(3-amino-2-methylphenyl)-4-tert-butylsulfinylbutanamide
CID 61304602
N-(3-amino-2-methylphenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286429
N-(3-amino-2-methylphenyl)-3-pentylsulfinylpropanamide
CID 107753558
N-[2-(chloromethyl)phenyl]-4-phenylbutanamide
CID 114298062
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995516
N-(3-amino-2-methylphenyl)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 28995274

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-4-phenylbutanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-4-phenylbutanamide (CID 28939602) is N-(3-amino-2-methylphenyl)-4-phenylbutanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-4-phenylbutanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-4-phenylbutanamide is Cc1c(N)cccc1NC(=O)CCCc1ccccc1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-4-phenylbutanamide?
The InChIKey is TWWPGZGRQIWADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-15(18)10-6-11-16(13)19-17(20)12-5-9-14-7-3-2-4-8-14/h2-4,6-8,10-11H,5,9,12,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylphenyl)-4-phenylbutanamide?
N-(3-amino-2-methylphenyl)-4-phenylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-4-phenylbutanamide is sourced from PubChem (CID 28939602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).