(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide

C16H29N3O3 — CID 156761797

IUPAC(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide
SMILESCCOC(C)C(/C=C(\C(N)=O)C(CC)N(C)C)=C(/C)C(N)=O
InChIInChI=1S/C16H29N3O3/c1-7-14(19(5)6)13(16(18)21)9-12(10(3)15(17)20)11(4)22-8-2/h9,11,14H,7-8H2,1-6H3,(H2,17,20)(H2,18,21)/b12-10-,13-9-
InChIKeyXDHCKEXUGMPQRD-VHRXNPEUSA-N
MW311.43 g/mol
LogP0.97
Rot. Bonds9

About (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide

(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide (PubChem CID 156761797) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide.

Molecular Properties

Compound Name(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide
PubChem CID156761797
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide
SMILESCCOC(C)C(/C=C(\C(N)=O)C(CC)N(C)C)=C(/C)C(N)=O
InChIInChI=1S/C16H29N3O3/c1-7-14(19(5)6)13(16(18)21)9-12(10(3)15(17)20)11(4)22-8-2/h9,11,14H,7-8H2,1-6H3,(H2,17,20)(H2,18,21)/b12-10-,13-9-
InChIKeyXDHCKEXUGMPQRD-VHRXNPEUSA-N
XLogP0.97
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2E,4Z)-5-[1-(dimethylamino)propyl]-3-ethyl-2-methylhexa-2,4-dienediamide
CID 156761805
4-(dimethylamino)-2-[1-(dimethylamino)propyl]hex-2-enamide
CID 173332823
3-(dimethylamino)-2-methylidenepentanamide;2-methylprop-2-enamide
CID 175472051
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
methyl 2-(dimethylamino)butanoate
CID 14644900
3-(dimethylamino)-2-methylidenepentanamide;methyl hydrogen sulfite
CID 146301735
amino 2-ethoxypropanoate
CID 87914402
acetamide;1-ethoxyethanol
CID 175470032
[[1-(carbamoylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]urea
CID 71396195
3-[1-(dimethylamino)propyl]-2-methylhexa-2,5-dienoic acid
CID 173079317
CID 21266963
CID 21266963
ethyl 2-[methyl(propan-2-yl)amino]butanoate
CID 64660850

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide?
The IUPAC name of (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide (CID 156761797) is (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide.
What is the SMILES notation for (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide?
The canonical SMILES for (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide is CCOC(C)C(/C=C(\C(N)=O)C(CC)N(C)C)=C(/C)C(N)=O.
What is the InChIKey of (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide?
The InChIKey is XDHCKEXUGMPQRD-VHRXNPEUSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-7-14(19(5)6)13(16(18)21)9-12(10(3)15(17)20)11(4)22-8-2/h9,11,14H,7-8H2,1-6H3,(H2,17,20)(H2,18,21)/b12-10-,13-9-.
What are the key properties of (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide?
(2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide has a molecular weight of 311.43 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-[1-(dimethylamino)propyl]-3-(1-ethoxyethyl)-2-methylhexa-2,4-dienediamide is sourced from PubChem (CID 156761797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).