N-(2-methylpropanoyl)heptanamide

C11H21NO2 — CID 150179955

IUPACN-(2-methylpropanoyl)heptanamide
SMILESCCCCCCC(=O)NC(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-8-10(13)12-11(14)9(2)3/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyFLEWUCXXHDNOHN-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.26
Rot. Bonds6

About N-(2-methylpropanoyl)heptanamide

N-(2-methylpropanoyl)heptanamide (PubChem CID 150179955) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-methylpropanoyl)heptanamide.

Molecular Properties

Compound NameN-(2-methylpropanoyl)heptanamide
PubChem CID150179955
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-methylpropanoyl)heptanamide
SMILESCCCCCCC(=O)NC(=O)C(C)C
InChIInChI=1S/C11H21NO2/c1-4-5-6-7-8-10(13)12-11(14)9(2)3/h9H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyFLEWUCXXHDNOHN-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decanoyldecanamide
CID 87914075
N-octanoyloctanamide;hydrobromide
CID 175059894
N-acetylundecanamide
CID 18949728
N-carbamoyloctanamide
CID 24740663
N-prop-1-en-2-ylheptanamide
CID 89354267
N-pentan-2-ylundecanamide
CID 173258559
2-methyl-N-propanoylpropanamide
CID 13378668
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]undecanamide
CID 141113312
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]nonanamide
CID 141113307
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
CID 141113311
(2S)-2-amino-5-(decanoylamino)-5-oxopentanoic acid
CID 126740893

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanoyl)heptanamide?
The IUPAC name of N-(2-methylpropanoyl)heptanamide (CID 150179955) is N-(2-methylpropanoyl)heptanamide.
What is the SMILES notation for N-(2-methylpropanoyl)heptanamide?
The canonical SMILES for N-(2-methylpropanoyl)heptanamide is CCCCCCC(=O)NC(=O)C(C)C.
What is the InChIKey of N-(2-methylpropanoyl)heptanamide?
The InChIKey is FLEWUCXXHDNOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-6-7-8-10(13)12-11(14)9(2)3/h9H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of N-(2-methylpropanoyl)heptanamide?
N-(2-methylpropanoyl)heptanamide has a molecular weight of 199.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanoyl)heptanamide is sourced from PubChem (CID 150179955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).