N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide

C27H30N2O4 — CID 18890052

IUPACN-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1OC(C)C
InChIInChI=1S/C27H30N2O4/c1-17(2)33-24-16-22(14-15-23(24)32-5)25(28-26(30)20-10-6-18(3)7-11-20)29-27(31)21-12-8-19(4)9-13-21/h6-17,25H,1-5H3,(H,28,30)(H,29,31)
InChIKeyIXZDASZAHRDNLY-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.96
Rot. Bonds8

About N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide

N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide (PubChem CID 18890052) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide
PubChem CID18890052
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1OC(C)C
InChIInChI=1S/C27H30N2O4/c1-17(2)33-24-16-22(14-15-23(24)32-5)25(28-26(30)20-10-6-18(3)7-11-20)29-27(31)21-12-8-19(4)9-13-21/h6-17,25H,1-5H3,(H,28,30)(H,29,31)
InChIKeyIXZDASZAHRDNLY-UHFFFAOYSA-N
XLogP4.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[[(3-bromobenzoyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
CID 18890057
4-methyl-N-[[(4-methylbenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839408
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methoxy-3-propan-2-yloxyphenyl)methyl]acetamide
CID 18890069
2-iodo-N-[[(2-iodoacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153649
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 5153648
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[benzamido-[4-methoxy-3-(3-methylbutoxy)phenyl]methyl]benzamide
CID 18890095
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
3-bromo-4-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739360
4-bromo-N-[[(4-bromobenzoyl)amino]-(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 4512108

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide?
The IUPAC name of N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide (CID 18890052) is N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide?
The canonical SMILES for N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide is COc1ccc(C(NC(=O)c2ccc(C)cc2)NC(=O)c2ccc(C)cc2)cc1OC(C)C.
What is the InChIKey of N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide?
The InChIKey is IXZDASZAHRDNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-17(2)33-24-16-22(14-15-23(24)32-5)25(28-26(30)20-10-6-18(3)7-11-20)29-27(31)21-12-8-19(4)9-13-21/h6-17,25H,1-5H3,(H,28,30)(H,29,31).
What are the key properties of N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide?
N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide has a molecular weight of 446.55 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-propan-2-yloxyphenyl)-[(4-methylbenzoyl)amino]methyl]-4-methylbenzamide is sourced from PubChem (CID 18890052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).