N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide

C22H28N2O4 — CID 35617607

IUPACN-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCCCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1OCCC
InChIInChI=1S/C22H28N2O4/c1-3-12-27-19-11-10-18(15-20(19)28-13-4-2)24-22(26)16-23-21(25)14-17-8-6-5-7-9-17/h5-11,15H,3-4,12-14,16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIOCRMNVYFOWVEV-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.56
Rot. Bonds11

About N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide

N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 35617607) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID35617607
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
SMILESCCCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1OCCC
InChIInChI=1S/C22H28N2O4/c1-3-12-27-19-11-10-18(15-20(19)28-13-4-2)24-22(26)16-23-21(25)14-17-8-6-5-7-9-17/h5-11,15H,3-4,12-14,16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyIOCRMNVYFOWVEV-UHFFFAOYSA-N
XLogP3.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
1-benzyl-3-(3,4-dipropoxyphenyl)thiourea
CID 8660330
N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 26878579
N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287
N-(3-methyl-4-propoxyphenyl)propanamide
CID 130460979
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide (CID 35617607) is N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide is CCCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1OCCC.
What is the InChIKey of N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is IOCRMNVYFOWVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-12-27-19-11-10-18(15-20(19)28-13-4-2)24-22(26)16-23-21(25)14-17-8-6-5-7-9-17/h5-11,15H,3-4,12-14,16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 384.48 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 35617607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).