3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide

C22H28N2O3 — CID 113118495

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)Cc1ccccc1C
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-12-8-7-11-20(21)23-22(26)13-14-24(18(4)25)15-19-10-6-5-9-17(19)3/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyDDRRUKCNIFNICS-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.16
Rot. Bonds8

About 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 113118495) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID113118495
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)Cc1ccccc1C
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-12-8-7-11-20(21)23-22(26)13-14-24(18(4)25)15-19-10-6-5-9-17(19)3/h5-12,16H,13-15H2,1-4H3,(H,23,26)
InChIKeyDDRRUKCNIFNICS-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113162972
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
3-[acetyl(cyclopropyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113115448
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113127770
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113164592
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)propanamide
CID 113118397
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 113137130

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide (CID 113118495) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1OC(C)C)Cc1ccccc1C.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is DDRRUKCNIFNICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)27-21-12-8-7-11-20(21)23-22(26)13-14-24(18(4)25)15-19-10-6-5-9-17(19)3/h5-12,16H,13-15H2,1-4H3,(H,23,26).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 113118495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).