N-carbamoyl-2-ethylideneheptanamide

C10H18N2O2 — CID 3025421

IUPACN-carbamoyl-2-ethylideneheptanamide
SMILESCC=C(CCCCC)C(=O)NC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h4H,3,5-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyGZXQVLMVKMXPRH-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.71
Rot. Bonds5

About N-carbamoyl-2-ethylideneheptanamide

N-carbamoyl-2-ethylideneheptanamide (PubChem CID 3025421) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-carbamoyl-2-ethylideneheptanamide.

Molecular Properties

Compound NameN-carbamoyl-2-ethylideneheptanamide
PubChem CID3025421
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-carbamoyl-2-ethylideneheptanamide
SMILESCC=C(CCCCC)C(=O)NC(N)=O
InChIInChI=1S/C10H18N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h4H,3,5-7H2,1-2H3,(H3,11,12,13,14)
InChIKeyGZXQVLMVKMXPRH-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyloctanamide
CID 24740663
2-ethylideneoctadecanamide
CID 141119567
(decanoylamino)urea
CID 65426818
(2Z)-2-ethylideneicosanoic acid
CID 130276561
N-decanoyldecanamide
CID 87914075
acetic acid;2-ethylideneheptanoic acid
CID 161103841
acetic acid;(2Z)-2-ethylideneheptanoic acid
CID 87790702
tetradecanamide
CID 175692014
CID 87899207
CID 87899207
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
dodecanamide;N-methylmethanamine
CID 159337435

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-ethylideneheptanamide?
The IUPAC name of N-carbamoyl-2-ethylideneheptanamide (CID 3025421) is N-carbamoyl-2-ethylideneheptanamide.
What is the SMILES notation for N-carbamoyl-2-ethylideneheptanamide?
The canonical SMILES for N-carbamoyl-2-ethylideneheptanamide is CC=C(CCCCC)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-ethylideneheptanamide?
The InChIKey is GZXQVLMVKMXPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h4H,3,5-7H2,1-2H3,(H3,11,12,13,14).
What are the key properties of N-carbamoyl-2-ethylideneheptanamide?
N-carbamoyl-2-ethylideneheptanamide has a molecular weight of 198.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-ethylideneheptanamide is sourced from PubChem (CID 3025421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).