N-(1,1-dipropoxybutan-2-yl)prop-2-enamide

C13H25NO3 — CID 19376153

IUPACN-(1,1-dipropoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OCCC)OCCC
InChIInChI=1S/C13H25NO3/c1-5-9-16-13(17-10-6-2)11(7-3)14-12(15)8-4/h8,11,13H,4-7,9-10H2,1-3H3,(H,14,15)
InChIKeyBPLWRYQZEKHYPG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.25
Rot. Bonds10

About N-(1,1-dipropoxybutan-2-yl)prop-2-enamide

N-(1,1-dipropoxybutan-2-yl)prop-2-enamide (PubChem CID 19376153) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1,1-dipropoxybutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1-dipropoxybutan-2-yl)prop-2-enamide
PubChem CID19376153
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-(1,1-dipropoxybutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)C(OCCC)OCCC
InChIInChI=1S/C13H25NO3/c1-5-9-16-13(17-10-6-2)11(7-3)14-12(15)8-4/h8,11,13H,4-7,9-10H2,1-3H3,(H,14,15)
InChIKeyBPLWRYQZEKHYPG-UHFFFAOYSA-N
XLogP2.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-Dimethoxyethyl)-2-propenamide
CID 9898899
N-(2-ethoxy-1,3-dioxan-5-yl)prop-2-enamide
CID 102279284
N-(2-(1-(allyloxy)ethoxy)ethyl)acrylamide
CID 132577956
N-(4,4-dimethoxybutyl)prop-2-enamide
CID 10375197
N-(1,2,2-Triethoxyethyl)prop-2-enamide
CID 13982976
N-(4,4-diethoxybutyl)prop-2-enamide
CID 14008504
N-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
N-[1,1-bis(ethylperoxy)butan-2-yl]prop-2-enamide
CID 19354110
N-(1,1-diethoxyhexan-2-yl)prop-2-enamide
CID 19376111
N-(1,1-diethoxyheptan-2-yl)prop-2-enamide
CID 19376113

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dipropoxybutan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,1-dipropoxybutan-2-yl)prop-2-enamide (CID 19376153) is N-(1,1-dipropoxybutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,1-dipropoxybutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,1-dipropoxybutan-2-yl)prop-2-enamide is C=CC(=O)NC(CC)C(OCCC)OCCC.
What is the InChIKey of N-(1,1-dipropoxybutan-2-yl)prop-2-enamide?
The InChIKey is BPLWRYQZEKHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-9-16-13(17-10-6-2)11(7-3)14-12(15)8-4/h8,11,13H,4-7,9-10H2,1-3H3,(H,14,15).
What are the key properties of N-(1,1-dipropoxybutan-2-yl)prop-2-enamide?
N-(1,1-dipropoxybutan-2-yl)prop-2-enamide has a molecular weight of 243.35 g/mol, XLogP of 2.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dipropoxybutan-2-yl)prop-2-enamide is sourced from PubChem (CID 19376153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).