N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide

C30H31N3O3 — CID 6618330

IUPACN-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide
SMILESCc1ccc(C=NNC(=O)C2C(c3ccccc3)C(C(=O)N3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C30H31N3O3/c1-21-12-14-22(15-13-21)20-31-32-29(34)27-25(23-8-4-2-5-9-23)28(26(27)24-10-6-3-7-11-24)30(35)33-16-18-36-19-17-33/h2-15,20,25-28H,16-19H2,1H3,(H,32,34)
InChIKeyPLDFWRNWNIJNOO-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.12
Rot. Bonds6

About N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide

N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide (PubChem CID 6618330) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide
PubChem CID6618330
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide
SMILESCc1ccc(C=NNC(=O)C2C(c3ccccc3)C(C(=O)N3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C30H31N3O3/c1-21-12-14-22(15-13-21)20-31-32-29(34)27-25(23-8-4-2-5-9-23)28(26(27)24-10-6-3-7-11-24)30(35)33-16-18-36-19-17-33/h2-15,20,25-28H,16-19H2,1H3,(H,32,34)
InChIKeyPLDFWRNWNIJNOO-UHFFFAOYSA-N
XLogP4.12
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide (CID 6618330) is N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide is Cc1ccc(C=NNC(=O)C2C(c3ccccc3)C(C(=O)N3CCOCC3)C2c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide?
The InChIKey is PLDFWRNWNIJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-21-12-14-22(15-13-21)20-31-32-29(34)27-25(23-8-4-2-5-9-23)28(26(27)24-10-6-3-7-11-24)30(35)33-16-18-36-19-17-33/h2-15,20,25-28H,16-19H2,1H3,(H,32,34).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide?
N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide is sourced from PubChem (CID 6618330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).