(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide

C15H29N3O2 — CID 126550702

IUPAC(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide
SMILESCC(C)NC(=O)/C=C/CCC(C)NC(=O)CCN(C)C
InChIInChI=1S/C15H29N3O2/c1-12(2)16-14(19)9-7-6-8-13(3)17-15(20)10-11-18(4)5/h7,9,12-13H,6,8,10-11H2,1-5H3,(H,16,19)(H,17,20)/b9-7+
InChIKeyLYFPWDSHBROADQ-VQHVLOKHSA-N
MW283.42 g/mol
LogP1.30
Rot. Bonds9

About (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide

(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide (PubChem CID 126550702) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide.

Molecular Properties

Compound Name(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide
PubChem CID126550702
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide
SMILESCC(C)NC(=O)/C=C/CCC(C)NC(=O)CCN(C)C
InChIInChI=1S/C15H29N3O2/c1-12(2)16-14(19)9-7-6-8-13(3)17-15(20)10-11-18(4)5/h7,9,12-13H,6,8,10-11H2,1-5H3,(H,16,19)(H,17,20)/b9-7+
InChIKeyLYFPWDSHBROADQ-VQHVLOKHSA-N
XLogP1.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhex-2-enamide
CID 130435622
6-iodo-N-propan-2-ylhex-2-enamide
CID 139665458
5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide
CID 82851936
(2E,6E,8E)-N-propan-2-yldeca-2,6,8-trienamide
CID 87311173
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
CID 87710787
4-oxo-N-propan-2-ylbutanamide
CID 87543114
3-(dimethylamino)-N-(3-oxopropyl)propanamide
CID 142174059
3-(dimethylamino)-N-[(25Z,28Z)-tetratriaconta-25,28-dien-16-yl]propanamide
CID 166762826
(E)-4-(dimethylamino)-N-propan-2-ylbut-2-enamide;2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 163774916
N-[1-(dimethylamino)propan-2-yl]-4-(propan-2-ylamino)butanamide
CID 82939084
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536
N,N'-di(propan-2-yl)decanediamide
CID 58997511

Frequently Asked Questions

What is the IUPAC name of (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide?
The IUPAC name of (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide (CID 126550702) is (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide.
What is the SMILES notation for (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide?
The canonical SMILES for (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide is CC(C)NC(=O)/C=C/CCC(C)NC(=O)CCN(C)C.
What is the InChIKey of (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide?
The InChIKey is LYFPWDSHBROADQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)16-14(19)9-7-6-8-13(3)17-15(20)10-11-18(4)5/h7,9,12-13H,6,8,10-11H2,1-5H3,(H,16,19)(H,17,20)/b9-7+.
What are the key properties of (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide?
(E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide has a molecular weight of 283.42 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[3-(dimethylamino)propanoylamino]-N-propan-2-ylhept-2-enamide is sourced from PubChem (CID 126550702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).