N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide

C14H18ClNO2 — CID 47310185

IUPACN-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)C=C(C)C
InChIInChI=1S/C14H18ClNO2/c1-4-7-18-13-6-5-11(15)9-12(13)16-14(17)8-10(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyYCWXLIPWIGMZJY-UHFFFAOYSA-N
MW267.76 g/mol
LogP4.03
Rot. Bonds5

About N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide

N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide (PubChem CID 47310185) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
PubChem CID47310185
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)C=C(C)C
InChIInChI=1S/C14H18ClNO2/c1-4-7-18-13-6-5-11(15)9-12(13)16-14(17)8-10(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)
InChIKeyYCWXLIPWIGMZJY-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 54.03
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

4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
3-[(5-chloro-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076804
2-(aminomethyl)-N-(5-chloro-2-propoxyphenyl)-2-ethylbutanamide
CID 115431978
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110896841
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 56555388

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide (CID 47310185) is N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide is CCCOc1ccc(Cl)cc1NC(=O)C=C(C)C.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide?
The InChIKey is YCWXLIPWIGMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-4-7-18-13-6-5-11(15)9-12(13)16-14(17)8-10(2)3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide?
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide has a molecular weight of 267.76 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide is sourced from PubChem (CID 47310185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).