6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide

C16H26N2O — CID 106899790

IUPAC6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
SMILESCCc1ccc(CNC(=O)CCC(C)CCN)cc1
InChIInChI=1S/C16H26N2O/c1-3-14-5-7-15(8-6-14)12-18-16(19)9-4-13(2)10-11-17/h5-8,13H,3-4,9-12,17H2,1-2H3,(H,18,19)
InChIKeyBEAJNWCZSORQPC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.63
Rot. Bonds8

About 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide

6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide (PubChem CID 106899790) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
PubChem CID106899790
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide
SMILESCCc1ccc(CNC(=O)CCC(C)CCN)cc1
InChIInChI=1S/C16H26N2O/c1-3-14-5-7-15(8-6-14)12-18-16(19)9-4-13(2)10-11-17/h5-8,13H,3-4,9-12,17H2,1-2H3,(H,18,19)
InChIKeyBEAJNWCZSORQPC-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 98783951
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
ethyl 4-[(4-aminopentanoylamino)methyl]benzoate
CID 120561148
6-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]hexanamide
CID 114700307
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
ethyl 4-[(4-aminobutanoylamino)methyl]benzoate
CID 119302074
N-[(4-ethylphenyl)methyl]-2-sulfanylpropanamide
CID 107037283

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide?
The IUPAC name of 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide (CID 106899790) is 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide.
What is the SMILES notation for 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide?
The canonical SMILES for 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide is CCc1ccc(CNC(=O)CCC(C)CCN)cc1.
What is the InChIKey of 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide?
The InChIKey is BEAJNWCZSORQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-14-5-7-15(8-6-14)12-18-16(19)9-4-13(2)10-11-17/h5-8,13H,3-4,9-12,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide?
6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide has a molecular weight of 262.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-ethylphenyl)methyl]-4-methylhexanamide is sourced from PubChem (CID 106899790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).