N-(4-propan-2-yloxybutyl)prop-2-enamide

C10H19NO2 — CID 59532945

IUPACN-(4-propan-2-yloxybutyl)prop-2-enamide
SMILESC=CC(=O)NCCCCOC(C)C
InChIInChI=1S/C10H19NO2/c1-4-10(12)11-7-5-6-8-13-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyYDFGICNSEYNQPW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds7

About N-(4-propan-2-yloxybutyl)prop-2-enamide

N-(4-propan-2-yloxybutyl)prop-2-enamide (PubChem CID 59532945) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(4-propan-2-yloxybutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxybutyl)prop-2-enamide
PubChem CID59532945
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(4-propan-2-yloxybutyl)prop-2-enamide
SMILESC=CC(=O)NCCCCOC(C)C
InChIInChI=1S/C10H19NO2/c1-4-10(12)11-7-5-6-8-13-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12)
InChIKeyYDFGICNSEYNQPW-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yloxy-N-[4-(prop-2-enoylamino)butyl]butanamide
CID 88906866
6-(prop-2-enoylamino)hexyl 2-methylpropanoate
CID 59532953
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
(2R)-2-amino-3-methyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011533
N-(4-propan-2-yloxybutyl)acetamide;N-(2-propan-2-yloxyethyl)acetamide;N-(3-propan-2-yloxypropyl)acetamide
CID 158348499
N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
3-[dimethyl-[3-(prop-2-enoylamino)propyl]phosphaniumyl]propyl-dimethyl-[3-(prop-2-enoylamino)propyl]phosphanium
CID 162769514

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxybutyl)prop-2-enamide?
The IUPAC name of N-(4-propan-2-yloxybutyl)prop-2-enamide (CID 59532945) is N-(4-propan-2-yloxybutyl)prop-2-enamide.
What is the SMILES notation for N-(4-propan-2-yloxybutyl)prop-2-enamide?
The canonical SMILES for N-(4-propan-2-yloxybutyl)prop-2-enamide is C=CC(=O)NCCCCOC(C)C.
What is the InChIKey of N-(4-propan-2-yloxybutyl)prop-2-enamide?
The InChIKey is YDFGICNSEYNQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-10(12)11-7-5-6-8-13-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,11,12).
What are the key properties of N-(4-propan-2-yloxybutyl)prop-2-enamide?
N-(4-propan-2-yloxybutyl)prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxybutyl)prop-2-enamide is sourced from PubChem (CID 59532945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).