N-carbamoyl-2-ethylheptanamide

C10H20N2O2 — CID 3032098

IUPACN-carbamoyl-2-ethylheptanamide
SMILESCCCCCC(CC)C(=O)NC(N)=O
InChIInChI=1S/C10H20N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyWSVZMMJLTBPARR-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.79
Rot. Bonds6

About N-carbamoyl-2-ethylheptanamide

N-carbamoyl-2-ethylheptanamide (PubChem CID 3032098) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-carbamoyl-2-ethylheptanamide.

Molecular Properties

Compound NameN-carbamoyl-2-ethylheptanamide
PubChem CID3032098
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-carbamoyl-2-ethylheptanamide
SMILESCCCCCC(CC)C(=O)NC(N)=O
InChIInChI=1S/C10H20N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h8H,3-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyWSVZMMJLTBPARR-UHFFFAOYSA-N
XLogP1.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-ethylhexanehydrazide
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2-ethyl-N-pentylhexanamide
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2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-hexyloctanamide
CID 87302701
7,10-diethylhexadecane-8,9-dione
CID 150805323
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
ethyl 2-ethyldocosanoate
CID 175304380
2-ethylhexadecanamide;octadecanamide
CID 159948815
N-carbamoyl-2-propan-2-ylhexanamide
CID 175202627

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-ethylheptanamide?
The IUPAC name of N-carbamoyl-2-ethylheptanamide (CID 3032098) is N-carbamoyl-2-ethylheptanamide.
What is the SMILES notation for N-carbamoyl-2-ethylheptanamide?
The canonical SMILES for N-carbamoyl-2-ethylheptanamide is CCCCCC(CC)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-ethylheptanamide?
The InChIKey is WSVZMMJLTBPARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h8H,3-7H2,1-2H3,(H3,11,12,13,14).
What are the key properties of N-carbamoyl-2-ethylheptanamide?
N-carbamoyl-2-ethylheptanamide has a molecular weight of 200.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-ethylheptanamide is sourced from PubChem (CID 3032098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).