N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide

C15H21NO2 — CID 172814435

IUPACN-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)c1ccccc1OCCC
InChIInChI=1S/C15H21NO2/c1-5-11-18-13-10-8-7-9-12(13)15(3,4)16-14(17)6-2/h6-10H,2,5,11H2,1,3-4H3,(H,16,17)
InChIKeySPVQNAIFWPCHAA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide

N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide (PubChem CID 172814435) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide
PubChem CID172814435
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)(C)c1ccccc1OCCC
InChIInChI=1S/C15H21NO2/c1-5-11-18-13-10-8-7-9-12(13)15(3,4)16-14(17)6-2/h6-10H,2,5,11H2,1,3-4H3,(H,16,17)
InChIKeySPVQNAIFWPCHAA-UHFFFAOYSA-N
XLogP3.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(2-propoxyphenyl)propanoic acid
CID 104662391
2-bromo-2-methyl-N-(2-propoxyphenyl)propanamide
CID 114327800
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
1-(4-fluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 104658477
4,4-dimethyl-1-(2-propoxyphenyl)pentan-3-one
CID 113438515
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
2-amino-3,3,3-trifluoro-2-methyl-1-(2-propoxyphenyl)propan-1-one
CID 116592907
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
1-cyclohexyl-1-(2-propoxyphenyl)ethanol
CID 114794929
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide?
The IUPAC name of N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide (CID 172814435) is N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide?
The canonical SMILES for N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide is C=CC(=O)NC(C)(C)c1ccccc1OCCC.
What is the InChIKey of N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide?
The InChIKey is SPVQNAIFWPCHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-11-18-13-10-8-7-9-12(13)15(3,4)16-14(17)6-2/h6-10H,2,5,11H2,1,3-4H3,(H,16,17).
What are the key properties of N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide?
N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-propoxyphenyl)propan-2-yl]prop-2-enamide is sourced from PubChem (CID 172814435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).