7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide

C18H30N2O3 — CID 119720154

IUPAC7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCCCCCN)cc1OC
InChIInChI=1S/C18H30N2O3/c1-13-11-16(22-3)17(23-4)12-15(13)14(2)20-18(21)9-7-5-6-8-10-19/h11-12,14H,5-10,19H2,1-4H3,(H,20,21)
InChIKeyFXQXTJLHNRRKOG-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.10
Rot. Bonds10

About 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide

7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide (PubChem CID 119720154) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
PubChem CID119720154
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide
SMILESCOc1cc(C)c(C(C)NC(=O)CCCCCCN)cc1OC
InChIInChI=1S/C18H30N2O3/c1-13-11-16(22-3)17(23-4)12-15(13)14(2)20-18(21)9-7-5-6-8-10-19/h11-12,14H,5-10,19H2,1-4H3,(H,20,21)
InChIKeyFXQXTJLHNRRKOG-UHFFFAOYSA-N
XLogP3.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]butanamide
CID 119324659
6-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 61166957
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-4-(2-methylimidazol-1-yl)butanamide
CID 95303083
4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide
CID 78875354
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-methylpropanamide
CID 46485721
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119720202
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46485585
7-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]heptanamide
CID 119802470
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
CID 119686390
6-[1-(2-methoxy-5-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 60940420

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide (CID 119720154) is 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide is COc1cc(C)c(C(C)NC(=O)CCCCCCN)cc1OC.
What is the InChIKey of 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide?
The InChIKey is FXQXTJLHNRRKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13-11-16(22-3)17(23-4)12-15(13)14(2)20-18(21)9-7-5-6-8-10-19/h11-12,14H,5-10,19H2,1-4H3,(H,20,21).
What are the key properties of 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide?
7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide has a molecular weight of 322.45 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]heptanamide is sourced from PubChem (CID 119720154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).