(E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide

C18H36N2O — CID 174683801

IUPAC(E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide
SMILESCCCCCCC/C=C(\C(=O)NCC)N(C(C)C)C(C)C
InChIInChI=1S/C18H36N2O/c1-7-9-10-11-12-13-14-17(18(21)19-8-2)20(15(3)4)16(5)6/h14-16H,7-13H2,1-6H3,(H,19,21)/b17-14+
InChIKeyQXHFZWNZQRWXBJ-SAPNQHFASA-N
MW296.50 g/mol
LogP4.49
Rot. Bonds11

About (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide

(E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide (PubChem CID 174683801) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide.

Molecular Properties

Compound Name(E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide
PubChem CID174683801
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name(E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide
SMILESCCCCCCC/C=C(\C(=O)NCC)N(C(C)C)C(C)C
InChIInChI=1S/C18H36N2O/c1-7-9-10-11-12-13-14-17(18(21)19-8-2)20(15(3)4)16(5)6/h14-16H,7-13H2,1-6H3,(H,19,21)/b17-14+
InChIKeyQXHFZWNZQRWXBJ-SAPNQHFASA-N
XLogP4.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
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

(E)-N-ethyl-2-methylnon-2-enamide
CID 87136870
2-fluoro-N-[3-(2-fluorododec-2-enoylamino)butan-2-yl]tridec-2-enamide
CID 123461381
(E)-N-butyl-2-methyldec-2-enamide
CID 140554032
N,2-dimethylundec-2-enamide
CID 4562078
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
2-methylpentadec-2-enethioic S-acid
CID 87863769
N,N-bis(ethylamino)-2-methylnon-2-enamide
CID 141225498
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
N-ethyl-2-hydroxyoctadec-9-enamide
CID 54116663
2-nonadecylidenepropanedioic acid
CID 19832661
2-octadecylidenebutanedioic acid
CID 141239026

Frequently Asked Questions

What is the IUPAC name of (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide?
The IUPAC name of (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide (CID 174683801) is (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide.
What is the SMILES notation for (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide?
The canonical SMILES for (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide is CCCCCCC/C=C(\C(=O)NCC)N(C(C)C)C(C)C.
What is the InChIKey of (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide?
The InChIKey is QXHFZWNZQRWXBJ-SAPNQHFASA-N. The full InChI is InChI=1S/C18H36N2O/c1-7-9-10-11-12-13-14-17(18(21)19-8-2)20(15(3)4)16(5)6/h14-16H,7-13H2,1-6H3,(H,19,21)/b17-14+.
What are the key properties of (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide?
(E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide has a molecular weight of 296.50 g/mol, XLogP of 4.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[di(propan-2-yl)amino]-N-ethyldec-2-enamide is sourced from PubChem (CID 174683801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).