N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide

C24H30N2O3 — CID 38398813

IUPACN-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-16(2)21-12-5-17(3)13-22(21)29-15-23(27)26(4)14-18-6-8-19(9-7-18)24(28)25-20-10-11-20/h5-9,12-13,16,20H,10-11,14-15H2,1-4H3,(H,25,28)
InChIKeyAFOOXEAUCQCHIO-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.05
Rot. Bonds8

About N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide (PubChem CID 38398813) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide
PubChem CID38398813
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide
SMILESCc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H30N2O3/c1-16(2)21-12-5-17(3)13-22(21)29-15-23(27)26(4)14-18-6-8-19(9-7-18)24(28)25-20-10-11-20/h5-9,12-13,16,20H,10-11,14-15H2,1-4H3,(H,25,28)
InChIKeyAFOOXEAUCQCHIO-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 112790561
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 33341817
N-cyclopentyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 132612919
N-cyclopropyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639605
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 3363405
(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate
CID 134151064
2-[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-phenylacetamide
CID 55637611

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide (CID 38398813) is N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide is Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide?
The InChIKey is AFOOXEAUCQCHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)21-12-5-17(3)13-22(21)29-15-23(27)26(4)14-18-6-8-19(9-7-18)24(28)25-20-10-11-20/h5-9,12-13,16,20H,10-11,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 38398813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).