N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide

C21H28N2O3 — CID 109025818

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(2)26-20-10-6-18(7-11-20)22-15-13-21(24)23-14-12-17-4-8-19(25-3)9-5-17/h4-11,16,22H,12-15H2,1-3H3,(H,23,24)
InChIKeyOGVRLLYOBVLKEX-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.64
Rot. Bonds10

About N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide

N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide (PubChem CID 109025818) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
PubChem CID109025818
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O3/c1-16(2)26-20-10-6-18(7-11-20)22-15-13-21(24)23-14-12-17-4-8-19(25-3)9-5-17/h4-11,16,22H,12-15H2,1-3H3,(H,23,24)
InChIKeyOGVRLLYOBVLKEX-UHFFFAOYSA-N
XLogP3.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-3-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025846
N-(3-methylbutyl)-3-(4-propan-2-yloxyanilino)propanamide
CID 109031931
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
3-(2,5-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 38501975
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
N-[2-(4-methoxyphenyl)ethyl]-5-methyl-4-oxohexanamide
CID 166676905
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022424

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide (CID 109025818) is N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide is COc1ccc(CCNC(=O)CCNc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide?
The InChIKey is OGVRLLYOBVLKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16(2)26-20-10-6-18(7-11-20)22-15-13-21(24)23-14-12-17-4-8-19(25-3)9-5-17/h4-11,16,22H,12-15H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide?
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 109025818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).