N-(4-methylphenyl)-2-(propylamino)propanamide

C13H20N2O — CID 60638636

IUPACN-(4-methylphenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-7-5-10(2)6-8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyAQVLBLGVVXVVHN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds5

About N-(4-methylphenyl)-2-(propylamino)propanamide

N-(4-methylphenyl)-2-(propylamino)propanamide (PubChem CID 60638636) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(propylamino)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(propylamino)propanamide
PubChem CID60638636
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(4-methylphenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-7-5-10(2)6-8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyAQVLBLGVVXVVHN-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
2-[(1-ethylcyclopropyl)methylamino]-N-(4-methylphenyl)propanamide
CID 103734805
diethyl 2-[(4-methylphenyl)carbamoyl]propanedioate
CID 135030041
ethyl-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443102
ethyl-[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl]azanium
CID 2443104
2-(2-methylbutan-2-ylamino)-N-(4-methylphenyl)propanamide
CID 60647573
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 103776250

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(propylamino)propanamide?
The IUPAC name of N-(4-methylphenyl)-2-(propylamino)propanamide (CID 60638636) is N-(4-methylphenyl)-2-(propylamino)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(propylamino)propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-(propylamino)propanamide is CCCNC(C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(propylamino)propanamide?
The InChIKey is AQVLBLGVVXVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-7-5-10(2)6-8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-methylphenyl)-2-(propylamino)propanamide?
N-(4-methylphenyl)-2-(propylamino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(propylamino)propanamide is sourced from PubChem (CID 60638636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).