N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide

C13H26N2O — CID 78914225

IUPACN-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C13H26N2O/c1-5-9-14-10-13(16)15-12(4)8-6-7-11(2)3/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyZFMVCWYJMWIATK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.09
Rot. Bonds9

About N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide

N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 78914225) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
PubChem CID78914225
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CCCC(C)C
InChIInChI=1S/C13H26N2O/c1-5-9-14-10-13(16)15-12(4)8-6-7-11(2)3/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16)
InChIKeyZFMVCWYJMWIATK-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79279619
(2R)-3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79278244
3-(6-methylheptan-2-ylamino)-3-oxopropanoic acid
CID 62229876
2-amino-N-(6-methylheptan-2-yl)acetamide
CID 60718868
N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79285561
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide (CID 78914225) is N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)CCCC(C)C.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is ZFMVCWYJMWIATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-9-14-10-13(16)15-12(4)8-6-7-11(2)3/h5,11-12,14H,1,6-10H2,2-4H3,(H,15,16).
What are the key properties of N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide?
N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78914225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).