N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide

C18H29NO — CID 76599938

IUPACN-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide
SMILESCC=CC(=O)N(CC=C(C)CCC=C(C)C)CC1CC1
InChIInChI=1S/C18H29NO/c1-5-7-18(20)19(14-17-10-11-17)13-12-16(4)9-6-8-15(2)3/h5,7-8,12,17H,6,9-11,13-14H2,1-4H3
InChIKeyDQHIBPOWHACNBS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds8

About N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide

N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide (PubChem CID 76599938) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide
PubChem CID76599938
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide
SMILESCC=CC(=O)N(CC=C(C)CCC=C(C)C)CC1CC1
InChIInChI=1S/C18H29NO/c1-5-7-18(20)19(14-17-10-11-17)13-12-16(4)9-6-8-15(2)3/h5,7-8,12,17H,6,9-11,13-14H2,1-4H3
InChIKeyDQHIBPOWHACNBS-UHFFFAOYSA-N
XLogP4.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,7-dimethylocta-2,6-dienyl)-3-methyl-N-prop-2-enylbut-2-enamide
CID 76600230
N-(cyclopropylmethyl)-N-propan-2-ylbut-2-enamide
CID 112729409
N-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79720456
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]but-2-enamide
CID 11521413
(2E,7E,11E)-13-hydroxy-7,11-dimethyltrideca-2,7,11-trien-4-one
CID 21242335
(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene
CID 10465989
(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyl-N,N-di(propan-2-yl)octacosa-2,6,10,14,18,22,26-heptaenamide
CID 11307844
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
N-(3,7-dimethylocta-2,6-dienyl)-2-methyl-N-propylbutanamide
CID 76600264
N-tert-butyl-N-(3,7-dimethylocta-2,6-dienyl)butanamide
CID 76599958
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide (CID 76599938) is N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide is CC=CC(=O)N(CC=C(C)CCC=C(C)C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide?
The InChIKey is DQHIBPOWHACNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-7-18(20)19(14-17-10-11-17)13-12-16(4)9-6-8-15(2)3/h5,7-8,12,17H,6,9-11,13-14H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide?
N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide has a molecular weight of 275.44 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3,7-dimethylocta-2,6-dienyl)but-2-enamide is sourced from PubChem (CID 76599938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).