(3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide

C23H30N2O3 — CID 143040079

IUPAC(3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide
SMILESC=C/C(=C\C=C/C)CCNCCc1ccccc1.Cc1ccc(C(=O)NO)o1
InChIInChI=1S/C17H23N.C6H7NO3/c1-3-5-9-16(4-2)12-14-18-15-13-17-10-7-6-8-11-17;1-4-2-3-5(10-4)6(8)7-9/h3-11,18H,2,12-15H2,1H3;2-3,9H,1H3,(H,7,8)/b5-3-,16-9+;
InChIKeySOFCXZWEVZMZFX-GNNNDAFXSA-N
MW382.50 g/mol
LogP4.60
Rot. Bonds9

About (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide

(3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide (PubChem CID 143040079) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide.

Molecular Properties

Compound Name(3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide
PubChem CID143040079
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide
SMILESC=C/C(=C\C=C/C)CCNCCc1ccccc1.Cc1ccc(C(=O)NO)o1
InChIInChI=1S/C17H23N.C6H7NO3/c1-3-5-9-16(4-2)12-14-18-15-13-17-10-7-6-8-11-17;1-4-2-3-5(10-4)6(8)7-9/h3-11,18H,2,12-15H2,1H3;2-3,9H,1H3,(H,7,8)/b5-3-,16-9+;
InChIKeySOFCXZWEVZMZFX-GNNNDAFXSA-N
XLogP4.60
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-ethenyl-N-(2-phenylethyl)pent-3-en-1-amine
CID 137380998
4-[2-[[(3Z)-3-ethenylhexa-3,5-dienyl]amino]ethyl]phenol
CID 145162117
1-(5-methylfuran-2-yl)-3-phenylpropan-1-one
CID 71336730
3-(2-phenylethylamino)-N,N-dipropylpropanamide
CID 109024274
ethane;1-N'-[(3Z)-3-ethenylhexa-3,5-dienyl]-1-N-(2-phenylethyl)ethene-1,1-diamine
CID 142018019
N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide
CID 170006039
5-methyl-N-(phenylcarbamoyl)furan-2-carboxamide
CID 2753284
[2-(2-phenylethylamino)-1-prop-2-enoyloxyethyl] prop-2-enoate
CID 175049317
3-[benzyl-[3-(2-phenylethylamino)propanoyl]amino]propanoic acid
CID 10814125
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
1-[2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)-2-phenylethyl]-4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]benzene;ethane;ethenamine
CID 144523565
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide?
The IUPAC name of (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide (CID 143040079) is (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide.
What is the SMILES notation for (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide?
The canonical SMILES for (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide is C=C/C(=C\C=C/C)CCNCCc1ccccc1.Cc1ccc(C(=O)NO)o1.
What is the InChIKey of (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide?
The InChIKey is SOFCXZWEVZMZFX-GNNNDAFXSA-N. The full InChI is InChI=1S/C17H23N.C6H7NO3/c1-3-5-9-16(4-2)12-14-18-15-13-17-10-7-6-8-11-17;1-4-2-3-5(10-4)6(8)7-9/h3-11,18H,2,12-15H2,1H3;2-3,9H,1H3,(H,7,8)/b5-3-,16-9+;.
What are the key properties of (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide?
(3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide is sourced from PubChem (CID 143040079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).