N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide

C14H22N2O2 — CID 176933591

IUPACN-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide
SMILESC=C/C(=C\C=C/C)N(C)C(C)CCC(=O)NC=O
InChIInChI=1S/C14H22N2O2/c1-5-7-8-13(6-2)16(4)12(3)9-10-14(18)15-11-17/h5-8,11-12H,2,9-10H2,1,3-4H3,(H,15,17,18)/b7-5-,13-8+
InChIKeyGJSOBIBJTPSBAG-IPYMFYIGSA-N
MW250.34 g/mol
LogP2.01
Rot. Bonds8

About N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide

N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide (PubChem CID 176933591) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide
PubChem CID176933591
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide
SMILESC=C/C(=C\C=C/C)N(C)C(C)CCC(=O)NC=O
InChIInChI=1S/C14H22N2O2/c1-5-7-8-13(6-2)16(4)12(3)9-10-14(18)15-11-17/h5-8,11-12H,2,9-10H2,1,3-4H3,(H,15,17,18)/b7-5-,13-8+
InChIKeyGJSOBIBJTPSBAG-IPYMFYIGSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-formylpentanamide
CID 143583899
N-methyl-N-[(2R,4E,6Z)-4-methylocta-4,6-dien-2-yl]prop-2-enamide
CID 178168015
(3Z,4Z)-3-ethylidene-N-(5-formamido-5-oxopentan-2-yl)-5-methylhepta-4,6-dienamide
CID 177240198
(3E,5Z)-N-methyl-N-(methylsulfanylmethyl)hepta-1,3,5-trien-3-amine
CID 144526916
(Z)-N-formyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]but-2-enamide
CID 167044828
N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide
CID 169257859
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]formamide;3-methoxypropanoic acid
CID 143489553
N-formylpent-4-enamide
CID 138584202
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
N-formyloctadecanamide
CID 54418147
N,N-diethylacetamide;(2E,4Z)-2-ethenyl-N,N-diethylhexa-2,4-dienamide
CID 145125978

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide?
The IUPAC name of N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide (CID 176933591) is N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide.
What is the SMILES notation for N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide?
The canonical SMILES for N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide is C=C/C(=C\C=C/C)N(C)C(C)CCC(=O)NC=O.
What is the InChIKey of N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide?
The InChIKey is GJSOBIBJTPSBAG-IPYMFYIGSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-7-8-13(6-2)16(4)12(3)9-10-14(18)15-11-17/h5-8,11-12H,2,9-10H2,1,3-4H3,(H,15,17,18)/b7-5-,13-8+.
What are the key properties of N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide?
N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide is sourced from PubChem (CID 176933591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).