2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide

C16H26N2O — CID 112516992

IUPAC2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide
SMILESCc1ccc(NC(=O)C(CCN)CC(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)9-14(7-8-17)16(19)18-15-6-5-12(3)10-13(15)4/h5-6,10-11,14H,7-9,17H2,1-4H3,(H,18,19)
InChIKeyUPKVRKPKNZIMTD-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.25
Rot. Bonds6

About 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide

2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide (PubChem CID 112516992) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide
PubChem CID112516992
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide
SMILESCc1ccc(NC(=O)C(CCN)CC(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)9-14(7-8-17)16(19)18-15-6-5-12(3)10-13(15)4/h5-6,10-11,14H,7-9,17H2,1-4H3,(H,18,19)
InChIKeyUPKVRKPKNZIMTD-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 945244
2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
CID 106954435
N,N'-bis(2-methylphenyl)-2-(2-methylpropyl)pentanediamide
CID 154750234
2-(aminomethyl)-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 115912619
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide (CID 112516992) is 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide is Cc1ccc(NC(=O)C(CCN)CC(C)C)c(C)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide?
The InChIKey is UPKVRKPKNZIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)9-14(7-8-17)16(19)18-15-6-5-12(3)10-13(15)4/h5-6,10-11,14H,7-9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide?
2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide is sourced from PubChem (CID 112516992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).