6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide

C42H70N4O4 — CID 10372514

IUPAC6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide
SMILESCCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
InChIInChI=1S/C42H70N4O4/c1-7-45(35-37-25-17-19-27-39(37)49-5)33-23-13-15-29-41(47)43(3)31-21-11-9-10-12-22-32-44(4)42(48)30-16-14-24-34-46(8-2)36-38-26-18-20-28-40(38)50-6/h17-20,25-28H,7-16,21-24,29-36H2,1-6H3
InChIKeyVJXLWYGKZGTXAF-UHFFFAOYSA-N
MW695.05 g/mol
LogP8.43
Rot. Bonds29

About 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide

6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide (PubChem CID 10372514) has the molecular formula C42H70N4O4 and a molecular weight of 695.05 g/mol. Its IUPAC name is 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide
PubChem CID10372514
Molecular FormulaC42H70N4O4
Molecular Weight695.05 g/mol
Exact Mass694.54
IUPAC Name6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide
SMILESCCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
InChIInChI=1S/C42H70N4O4/c1-7-45(35-37-25-17-19-27-39(37)49-5)33-23-13-15-29-41(47)43(3)31-21-11-9-10-12-22-32-44(4)42(48)30-16-14-24-34-46(8-2)36-38-26-18-20-28-40(38)50-6/h17-20,25-28H,7-16,21-24,29-36H2,1-6H3
InChIKeyVJXLWYGKZGTXAF-UHFFFAOYSA-N
XLogP8.43
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.05
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Caproctamine
CID 10055202
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
AC-90179
CID 9799308
Pipertramine amide
CID 10865439
[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
N-benzyl-N-ethyl-3-(2-methoxyphenyl)-2-propen-1-amine
CID 783682
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279
N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 795920
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 2399645
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
N-[(2-methoxyphenyl)methyl]-2-phenylbutanamide
CID 2891278

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide?
The IUPAC name of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide (CID 10372514) is 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide.
What is the SMILES notation for 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide?
The canonical SMILES for 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide is CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC.
What is the InChIKey of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide?
The InChIKey is VJXLWYGKZGTXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H70N4O4/c1-7-45(35-37-25-17-19-27-39(37)49-5)33-23-13-15-29-41(47)43(3)31-21-11-9-10-12-22-32-44(4)42(48)30-16-14-24-34-46(8-2)36-38-26-18-20-28-40(38)50-6/h17-20,25-28H,7-16,21-24,29-36H2,1-6H3.
What are the key properties of 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide?
6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide has a molecular weight of 695.05 g/mol, XLogP of 8.43, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[(2-methoxyphenyl)methyl]amino]-N-[8-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide is sourced from PubChem (CID 10372514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).