N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide

C13H26N2O — CID 139318689

IUPACN-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)(CC)CCCC
InChIInChI=1S/C13H26N2O/c1-5-8-9-13(4,7-3)15-12(16)11-14-10-6-2/h6,14H,2,5,7-11H2,1,3-4H3,(H,15,16)
InChIKeyPXKVSSYNZZTKNN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds9

About N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide

N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 139318689) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide
PubChem CID139318689
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)(CC)CCCC
InChIInChI=1S/C13H26N2O/c1-5-8-9-13(4,7-3)15-12(16)11-14-10-6-2/h6,14H,2,5,7-11H2,1,3-4H3,(H,15,16)
InChIKeyPXKVSSYNZZTKNN-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-N'-(2-methylcyclohexyl)ethanediamide
CID 2954922
N-allyl-N'-(2-ethylhexyl)ethanediamide
CID 2917280
N-[2-[(1-methylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
CID 58186121
N-[2-[(1-ethylcyclohexyl)amino]-2-oxoethyl]prop-2-enamide
CID 58186335
N-(4-amino-4-ethylhexan-3-yl)prop-2-enamide
CID 87146770
N-[5-(aminomethyl)nonan-5-yl]prop-2-enamide
CID 88852896
N-(2-amino-2-butylhexyl)prop-2-enamide
CID 89467052
N-[2-(2-methylcyclopropyl)ethyl]-2-[2-methylpropyl(prop-2-enyl)amino]acetamide
CID 91365150
N-heptyl-2-methyl-2-(prop-2-enoylamino)propanamide
CID 134339729
N-[2-[methyl(3-methylhexan-3-yl)amino]ethyl]prop-2-enamide
CID 166651273
N-[2-[methyl(2-methylheptan-2-yl)amino]ethyl]prop-2-enamide
CID 166651279
N'-[(1R,2S)-2-methylcyclohexyl]-N-prop-2-enyloxamide
CID 2206193

Frequently Asked Questions

What is the IUPAC name of N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide (CID 139318689) is N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)(CC)CCCC.
What is the InChIKey of N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is PXKVSSYNZZTKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-8-9-13(4,7-3)15-12(16)11-14-10-6-2/h6,14H,2,5,7-11H2,1,3-4H3,(H,15,16).
What are the key properties of N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide?
N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylheptan-3-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 139318689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).