1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide

C30H34N4O5 — CID 90460306

IUPAC1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide
SMILESCOCCCN(C(=O)c1ccc(C(N)=O)cc1NC(=O)CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H34N4O5/c1-38-17-5-14-34(25-11-8-23(9-12-25)22-6-3-2-4-7-22)30(37)26-13-10-24(29(31)36)20-27(26)32-28(35)21-33-15-18-39-19-16-33/h2-4,6-13,20H,5,14-19,21H2,1H3,(H2,31,36)(H,32,35)
InChIKeySSSIYRKBRNEULO-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.41
Rot. Bonds11

About 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide

1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide (PubChem CID 90460306) has the molecular formula C30H34N4O5 and a molecular weight of 530.63 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide
PubChem CID90460306
Molecular FormulaC30H34N4O5
Molecular Weight530.63 g/mol
Exact Mass530.25
IUPAC Name1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide
SMILESCOCCCN(C(=O)c1ccc(C(N)=O)cc1NC(=O)CN1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H34N4O5/c1-38-17-5-14-34(25-11-8-23(9-12-25)22-6-3-2-4-7-22)30(37)26-13-10-24(29(31)36)20-27(26)32-28(35)21-33-15-18-39-19-16-33/h2-4,6-13,20H,5,14-19,21H2,1H3,(H2,31,36)(H,32,35)
InChIKeySSSIYRKBRNEULO-UHFFFAOYSA-N
XLogP3.41
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.41
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

4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-[2-(3-methoxypropoxy)-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylacetamide
CID 161191064
N-methyl-2-[(2-morpholin-4-ylacetyl)amino]-4-[2-(4-phenylphenyl)acetyl]benzamide
CID 148814669
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107
tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629
2-[[2-[butyl(phenyl)carbamoyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 91282804
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
ethyl 3-[(2-morpholin-4-ylacetyl)amino]-5-phenylthiophene-2-carboxylate
CID 2654063
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide (CID 90460306) is 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide is COCCCN(C(=O)c1ccc(C(N)=O)cc1NC(=O)CN1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is SSSIYRKBRNEULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5/c1-38-17-5-14-34(25-11-8-23(9-12-25)22-6-3-2-4-7-22)30(37)26-13-10-24(29(31)36)20-27(26)32-28(35)21-33-15-18-39-19-16-33/h2-4,6-13,20H,5,14-19,21H2,1H3,(H2,31,36)(H,32,35).
What are the key properties of 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide?
1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 530.63 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-2-[(2-morpholin-4-ylacetyl)amino]-1-N-(4-phenylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 90460306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).