6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide

C17H28N2O2 — CID 65290260

IUPAC6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
SMILESCCOCc1ccccc1NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C17H28N2O2/c1-4-21-12-15-10-5-6-11-16(15)19-17(20)13(2)8-7-9-14(3)18/h5-6,10-11,13-14H,4,7-9,12,18H2,1-3H3,(H,19,20)
InChIKeyKZSLOTXHEDZHTE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.32
Rot. Bonds9

About 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide

6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide (PubChem CID 65290260) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
PubChem CID65290260
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide
SMILESCCOCc1ccccc1NC(=O)C(C)CCCC(C)N
InChIInChI=1S/C17H28N2O2/c1-4-21-12-15-10-5-6-11-16(15)19-17(20)13(2)8-7-9-14(3)18/h5-6,10-11,13-14H,4,7-9,12,18H2,1-3H3,(H,19,20)
InChIKeyKZSLOTXHEDZHTE-UHFFFAOYSA-N
XLogP3.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463
1-[2-(ethoxymethyl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336885
6-amino-N-(3-bromo-2-methylphenyl)-2-methylheptanamide
CID 107625137
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
3-[2-(ethoxymethyl)phenyl]-1-(2-hydroxypropyl)-1-propan-2-ylurea
CID 111754728
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
6-amino-N-(2,1,3-benzoselenadiazol-4-yl)-2-methylheptanamide
CID 65290319
(2S)-2-(benzenesulfonamido)-N-[2-(ethoxymethyl)phenyl]propanamide
CID 86826290
2-[(6-amino-2-methylheptanoyl)amino]-5-methylbenzoic acid
CID 65292299
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide?
The IUPAC name of 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide (CID 65290260) is 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide?
The canonical SMILES for 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide is CCOCc1ccccc1NC(=O)C(C)CCCC(C)N.
What is the InChIKey of 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide?
The InChIKey is KZSLOTXHEDZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-21-12-15-10-5-6-11-16(15)19-17(20)13(2)8-7-9-14(3)18/h5-6,10-11,13-14H,4,7-9,12,18H2,1-3H3,(H,19,20).
What are the key properties of 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide?
6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide has a molecular weight of 292.42 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(ethoxymethyl)phenyl]-2-methylheptanamide is sourced from PubChem (CID 65290260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).