N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide

C15H24N2O — CID 103795066

IUPACN-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCCc1ccc(CNC(=O)CCNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)11-17-15(18)9-10-16-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyABKYEPULFYQLMG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide

N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 103795066) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID103795066
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCCc1ccc(CNC(=O)CCNC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)11-17-15(18)9-10-16-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyABKYEPULFYQLMG-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
CID 106899790
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
N-[2-(4-fluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60852875
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
CID 62997361
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide
CID 107037283

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide (CID 103795066) is N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide is CCc1ccc(CNC(=O)CCNC(C)C)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is ABKYEPULFYQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)11-17-15(18)9-10-16-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 103795066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).