1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

C20H31N3O3 — CID 109133257

IUPAC1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)NCCCOC)c(C)c1
InChIInChI=1S/C20H31N3O3/c1-5-23(6-2)15-8-9-18(14(3)12-15)22-20(25)17-13-16(17)19(24)21-10-7-11-26-4/h8-9,12,16-17H,5-7,10-11,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyMVKPUEFQLHZHIR-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.57
Rot. Bonds10

About 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide

1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133257) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133257
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CC2C(=O)NCCCOC)c(C)c1
InChIInChI=1S/C20H31N3O3/c1-5-23(6-2)15-8-9-18(14(3)12-15)22-20(25)17-13-16(17)19(24)21-10-7-11-26-4/h8-9,12,16-17H,5-7,10-11,13H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyMVKPUEFQLHZHIR-UHFFFAOYSA-N
XLogP2.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143459
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
2-N-[4-(diethylamino)-2-methylphenyl]-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109144211
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082783
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
2-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133177
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458
1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide (CID 109133257) is 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2CC2C(=O)NCCCOC)c(C)c1.
What is the InChIKey of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is MVKPUEFQLHZHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-23(6-2)15-8-9-18(14(3)12-15)22-20(25)17-13-16(17)19(24)21-10-7-11-26-4/h8-9,12,16-17H,5-7,10-11,13H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide?
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).