N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide

C11H22N2O — CID 88844462

IUPACN-(4-amino-4-ethylhexan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)CC(N)(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-10(14)13-9(4)8-11(12,6-2)7-3/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyLWTDNWPWUMXZKJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.58
Rot. Bonds6

About N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide

N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide (PubChem CID 88844462) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-amino-4-ethylhexan-2-yl)prop-2-enamide
PubChem CID88844462
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(4-amino-4-ethylhexan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)CC(N)(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-10(14)13-9(4)8-11(12,6-2)7-3/h5,9H,1,6-8,12H2,2-4H3,(H,13,14)
InChIKeyLWTDNWPWUMXZKJ-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)prop-2-enamide;hydrobromide
CID 175039134
N-[(2S)-1-sulfamoylpropan-2-yl]prop-2-enamide
CID 167837204
sodium;N-butan-2-ylprop-2-enamide;hydrogen sulfate
CID 23683370
(4-amino-4-ethylhexan-2-yl) prop-2-enoate
CID 175405192
3-amino-4-(prop-2-enoylamino)hexane-3-sulfonic acid
CID 175337851
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
N-[4,4-bis(trifluoromethylsulfonyl)butan-2-yl]prop-2-enamide
CID 89253772
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
methyl 3-(prop-2-enoylamino)butanoate
CID 139498956
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
N,N'-bis[2-(prop-2-enoylamino)propyl]butanediamide
CID 101217114

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide?
The IUPAC name of N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide (CID 88844462) is N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide?
The canonical SMILES for N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide is C=CC(=O)NC(C)CC(N)(CC)CC.
What is the InChIKey of N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide?
The InChIKey is LWTDNWPWUMXZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-10(14)13-9(4)8-11(12,6-2)7-3/h5,9H,1,6-8,12H2,2-4H3,(H,13,14).
What are the key properties of N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide?
N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-ethylhexan-2-yl)prop-2-enamide is sourced from PubChem (CID 88844462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).