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

C13H20N2O — CID 4906

IUPACN-(2-methylphenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyMVFGUOIZUNYYSO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds5

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

N-(2-methylphenyl)-2-(propylamino)propanamide (PubChem CID 4906) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(propylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(propylamino)propanamide
PubChem CID4906
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-methylphenyl)-2-(propylamino)propanamide
SMILESCCCNC(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)
InChIKeyMVFGUOIZUNYYSO-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

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Monoethylglycinexylidide
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CID 71157
Levobupivacaine
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Mepivacaine
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Ropivacaine
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Prilocaine Hydrochloride
CID 92163
Lidocaine Hydrochloride
CID 6314
Bupivacaine Hydrochloride
CID 64737
Etidocaine
CID 37497

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(propylamino)propanamide?
The IUPAC name of N-(2-methylphenyl)-2-(propylamino)propanamide (CID 4906) is N-(2-methylphenyl)-2-(propylamino)propanamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(propylamino)propanamide?
The canonical SMILES for N-(2-methylphenyl)-2-(propylamino)propanamide is CCCNC(C)C(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-2-(propylamino)propanamide?
The InChIKey is MVFGUOIZUNYYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2/h5-8,11,14H,4,9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methylphenyl)-2-(propylamino)propanamide?
N-(2-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-(2-methylphenyl)-2-(propylamino)propanamide is sourced from PubChem (CID 4906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).