N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide

C21H26N2O3 — CID 54824758

IUPACN-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(OCCC)c2)c1
InChIInChI=1S/C21H26N2O3/c1-4-11-25-19-9-5-7-17(12-19)22-14-21(24)23-18-8-6-10-20(13-18)26-15-16(2)3/h5-10,12-13,22H,2,4,11,14-15H2,1,3H3,(H,23,24)
InChIKeyKVWGGACKOZDJGP-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.48
Rot. Bonds10

About N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide

N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide (PubChem CID 54824758) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
PubChem CID54824758
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
SMILESC=C(C)COc1cccc(NC(=O)CNc2cccc(OCCC)c2)c1
InChIInChI=1S/C21H26N2O3/c1-4-11-25-19-9-5-7-17(12-19)22-14-21(24)23-18-8-6-10-20(13-18)26-15-16(2)3/h5-10,12-13,22H,2,4,11,14-15H2,1,3H3,(H,23,24)
InChIKeyKVWGGACKOZDJGP-UHFFFAOYSA-N
XLogP4.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
2-(3-ethoxyanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54826557
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899
2-[4-(2-methylprop-2-enoxy)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54824411
propyl 4-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54812800
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
3-[[2-[3-(2-methylprop-2-enoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841190
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide?
The IUPAC name of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide (CID 54824758) is N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide.
What is the SMILES notation for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide?
The canonical SMILES for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide is C=C(C)COc1cccc(NC(=O)CNc2cccc(OCCC)c2)c1.
What is the InChIKey of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide?
The InChIKey is KVWGGACKOZDJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-11-25-19-9-5-7-17(12-19)22-14-21(24)23-18-8-6-10-20(13-18)26-15-16(2)3/h5-10,12-13,22H,2,4,11,14-15H2,1,3H3,(H,23,24).
What are the key properties of N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide?
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide is sourced from PubChem (CID 54824758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).