N-(5-ethylheptan-3-yl)prop-2-enamide

C12H23NO — CID 138538907

IUPACN-(5-ethylheptan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)CC(CC)CC
InChIInChI=1S/C12H23NO/c1-5-10(6-2)9-11(7-3)13-12(14)8-4/h8,10-11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyGKYHQLQJDUONBZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.89
Rot. Bonds7

About N-(5-ethylheptan-3-yl)prop-2-enamide

N-(5-ethylheptan-3-yl)prop-2-enamide (PubChem CID 138538907) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(5-ethylheptan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-ethylheptan-3-yl)prop-2-enamide
PubChem CID138538907
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(5-ethylheptan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(CC)CC(CC)CC
InChIInChI=1S/C12H23NO/c1-5-10(6-2)9-11(7-3)13-12(14)8-4/h8,10-11H,4-7,9H2,1-3H3,(H,13,14)
InChIKeyGKYHQLQJDUONBZ-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, N-octyl-
CID 82370
N-Dodecylacrylamide
CID 73929
2-Propenamide, N-(1-methylundecyl)-
CID 114489
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
N-Decylacrylamide
CID 3018705
N-Hexylprop-2-enamide
CID 18172794
Valeramide, N-allyl-2-propyl-
CID 211203
N-(cyclohexylmethyl)prop-2-enamide
CID 14872606
N-Nonylacrylamide
CID 22709185
N-Heptylprop-2-enamide
CID 14529845
n-(2,2,6,6-Tetramethylpiperidin-4-yl)acrylamide
CID 14697357
N-(alpha-methylheptyl)acrylamide
CID 20378406

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylheptan-3-yl)prop-2-enamide?
The IUPAC name of N-(5-ethylheptan-3-yl)prop-2-enamide (CID 138538907) is N-(5-ethylheptan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(5-ethylheptan-3-yl)prop-2-enamide?
The canonical SMILES for N-(5-ethylheptan-3-yl)prop-2-enamide is C=CC(=O)NC(CC)CC(CC)CC.
What is the InChIKey of N-(5-ethylheptan-3-yl)prop-2-enamide?
The InChIKey is GKYHQLQJDUONBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-10(6-2)9-11(7-3)13-12(14)8-4/h8,10-11H,4-7,9H2,1-3H3,(H,13,14).
What are the key properties of N-(5-ethylheptan-3-yl)prop-2-enamide?
N-(5-ethylheptan-3-yl)prop-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylheptan-3-yl)prop-2-enamide is sourced from PubChem (CID 138538907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).