N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide

C16H29NO — CID 123419710

IUPACN,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide
SMILESCCC(C)C(C)=CC(C(=O)N(C)C(C)C)=C(C)C
InChIInChI=1S/C16H29NO/c1-9-13(6)14(7)10-15(11(2)3)16(18)17(8)12(4)5/h10,12-13H,9H2,1-8H3
InChIKeyNJZNKVQGJFJDEL-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.18
Rot. Bonds5

About N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide

N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide (PubChem CID 123419710) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide.

Molecular Properties

Compound NameN,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide
PubChem CID123419710
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide
SMILESCCC(C)C(C)=CC(C(=O)N(C)C(C)C)=C(C)C
InChIInChI=1S/C16H29NO/c1-9-13(6)14(7)10-15(11(2)3)16(18)17(8)12(4)5/h10,12-13H,9H2,1-8H3
InChIKeyNJZNKVQGJFJDEL-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E)-2,3,5,6-tetramethylocta-2,4-diene
CID 145376996
ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
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(E)-2,5,6-trimethyloct-4-ene
CID 144800486
N,N,4-trimethyl-2-propan-2-ylidenepent-3-enamide
CID 89138735
(E)-1-(dimethylamino)-4-methylhex-1-en-3-one
CID 130511571
(Z)-4,5-dimethylhept-3-ene
CID 142511472
(3Z,5E)-2-bromo-3,4,6,7-tetramethylnona-1,3,5-triene
CID 170078822
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
(E)-4,5-dimethyloct-3-en-2-one
CID 87291379
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
4-methylhex-1-en-3-one
CID 15724302
N-but-2-en-2-yl-N,2-dimethylbutanamide;yttrium
CID 162288992

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide?
The IUPAC name of N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide (CID 123419710) is N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide.
What is the SMILES notation for N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide?
The canonical SMILES for N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide is CCC(C)C(C)=CC(C(=O)N(C)C(C)C)=C(C)C.
What is the InChIKey of N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide?
The InChIKey is NJZNKVQGJFJDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-9-13(6)14(7)10-15(11(2)3)16(18)17(8)12(4)5/h10,12-13H,9H2,1-8H3.
What are the key properties of N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide?
N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide has a molecular weight of 251.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-N-propan-2-yl-2-propan-2-ylidenehept-3-enamide is sourced from PubChem (CID 123419710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).