N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide

C32H42N2O6 — CID 53343603

IUPACN-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide
SMILESCCCCNC(=O)Cc1cc(OC)c(OC)cc1-c1cc(C)c2cc(OC)c(OC)cc2c1C(=O)NCCCC
InChIInChI=1S/C32H42N2O6/c1-8-10-12-33-30(35)16-21-15-26(37-4)28(39-6)18-23(21)24-14-20(3)22-17-27(38-5)29(40-7)19-25(22)31(24)32(36)34-13-11-9-2/h14-15,17-19H,8-13,16H2,1-7H3,(H,33,35)(H,34,36)
InChIKeySDGQOTNPVVQLSU-UHFFFAOYSA-N
MW550.70 g/mol
LogP5.84
Rot. Bonds14

About N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide

N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide (PubChem CID 53343603) has the molecular formula C32H42N2O6 and a molecular weight of 550.70 g/mol. Its IUPAC name is N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide
PubChem CID53343603
Molecular FormulaC32H42N2O6
Molecular Weight550.70 g/mol
Exact Mass550.30
IUPAC NameN-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide
SMILESCCCCNC(=O)Cc1cc(OC)c(OC)cc1-c1cc(C)c2cc(OC)c(OC)cc2c1C(=O)NCCCC
InChIInChI=1S/C32H42N2O6/c1-8-10-12-33-30(35)16-21-15-26(37-4)28(39-6)18-23(21)24-14-20(3)22-17-27(38-5)29(40-7)19-25(22)31(24)32(36)34-13-11-9-2/h14-15,17-19H,8-13,16H2,1-7H3,(H,33,35)(H,34,36)
InChIKeySDGQOTNPVVQLSU-UHFFFAOYSA-N
XLogP5.84
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-ethynyl-4,5-dimethoxyphenyl)acetamide
CID 53343006
N-butyl-4,5-dimethoxy-2-methylbenzamide
CID 110763563
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
3-(2-bromo-4,5-dimethoxyphenyl)-N-butylpropanamide
CID 2071413
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide
CID 54785381
N-butyl-2-(4,5,6-trimethoxy-1H-indol-3-yl)acetamide
CID 113211220
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
2-[2-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-4-methoxy-5-methylphenyl]acetic acid
CID 144723155
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-ethyl-6,7-dimethoxy-1-oxo-N-pentylisoquinoline-4-carboxamide
CID 71565543

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide?
The IUPAC name of N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide (CID 53343603) is N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide is CCCCNC(=O)Cc1cc(OC)c(OC)cc1-c1cc(C)c2cc(OC)c(OC)cc2c1C(=O)NCCCC.
What is the InChIKey of N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide?
The InChIKey is SDGQOTNPVVQLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O6/c1-8-10-12-33-30(35)16-21-15-26(37-4)28(39-6)18-23(21)24-14-20(3)22-17-27(38-5)29(40-7)19-25(22)31(24)32(36)34-13-11-9-2/h14-15,17-19H,8-13,16H2,1-7H3,(H,33,35)(H,34,36).
What are the key properties of N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide?
N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide has a molecular weight of 550.70 g/mol, XLogP of 5.84, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[2-(butylamino)-2-oxoethyl]-4,5-dimethoxyphenyl]-6,7-dimethoxy-4-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 53343603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).