1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide

C30H42N2O6 — CID 54777189

IUPAC1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCC(C(=O)NCc3ccc(OCCC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C30H42N2O6/c1-5-15-37-25-13-7-21(17-27(25)35-3)19-31-29(33)23-9-11-24(12-10-23)30(34)32-20-22-8-14-26(38-16-6-2)28(18-22)36-4/h7-8,13-14,17-18,23-24H,5-6,9-12,15-16,19-20H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyKTTLHVSHZNWZQM-UHFFFAOYSA-N
MW526.67 g/mol
LogP5.02
Rot. Bonds14

About 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide

1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 54777189) has the molecular formula C30H42N2O6 and a molecular weight of 526.67 g/mol. Its IUPAC name is 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID54777189
Molecular FormulaC30H42N2O6
Molecular Weight526.67 g/mol
Exact Mass526.30
IUPAC Name1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCCCOc1ccc(CNC(=O)C2CCC(C(=O)NCc3ccc(OCCC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C30H42N2O6/c1-5-15-37-25-13-7-21(17-27(25)35-3)19-31-29(33)23-9-11-24(12-10-23)30(34)32-20-22-8-14-26(38-16-6-2)28(18-22)36-4/h7-8,13-14,17-18,23-24H,5-6,9-12,15-16,19-20H2,1-4H3,(H,31,33)(H,32,34)
InChIKeyKTTLHVSHZNWZQM-UHFFFAOYSA-N
XLogP5.02
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.67
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985722
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119284599
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560240
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
2-bromo-N-[(4-butoxy-3-methoxyphenyl)methyl]acetamide
CID 112547109
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 55635162

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 54777189) is 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is CCCOc1ccc(CNC(=O)C2CCC(C(=O)NCc3ccc(OCCC)c(OC)c3)CC2)cc1OC.
What is the InChIKey of 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is KTTLHVSHZNWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O6/c1-5-15-37-25-13-7-21(17-27(25)35-3)19-31-29(33)23-9-11-24(12-10-23)30(34)32-20-22-8-14-26(38-16-6-2)28(18-22)36-4/h7-8,13-14,17-18,23-24H,5-6,9-12,15-16,19-20H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 526.67 g/mol, XLogP of 5.02, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 54777189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).