2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

C19H24N2O2 — CID 129439178

IUPAC2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NN=C/C=C\c1ccco1
InChIInChI=1S/C19H24N2O2/c22-18(21-20-5-1-3-17-4-2-6-23-17)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-6,14-16H,7-13H2,(H,21,22)/b3-1-,20-5?
InChIKeyKTDFLWXVSMRTRO-NFGPYBEWSA-N
MW312.41 g/mol
LogP4.00
Rot. Bonds5

About 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide

2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide (PubChem CID 129439178) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
PubChem CID129439178
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NN=C/C=C\c1ccco1
InChIInChI=1S/C19H24N2O2/c22-18(21-20-5-1-3-17-4-2-6-23-17)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-6,14-16H,7-13H2,(H,21,22)/b3-1-,20-5?
InChIKeyKTDFLWXVSMRTRO-NFGPYBEWSA-N
XLogP4.00
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 4258491
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6808432
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 129432020
2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 5061171
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6865026
N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 129441481
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
CID 6893827
N-[3-(furan-2-yl)prop-2-enylideneamino]pyridine-4-carboxamide
CID 2853290
2-(3,4-dimethoxyphenyl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
CID 4027245
N-[3-(furan-2-yl)prop-2-enylideneamino]-2-(3-methylanilino)acetamide
CID 6834782
cis-(1S,2R)-2-(4-tert-butylphenyl)-N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]cyclopropane-1-carboxamide
CID 129440322
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2,2-diphenylacetamide
CID 5369634

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide (CID 129439178) is 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NN=C/C=C\c1ccco1.
What is the InChIKey of 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
The InChIKey is KTDFLWXVSMRTRO-NFGPYBEWSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(21-20-5-1-3-17-4-2-6-23-17)13-19-10-14-7-15(11-19)9-16(8-14)12-19/h1-6,14-16H,7-13H2,(H,21,22)/b3-1-,20-5?.
What are the key properties of 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide?
2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide has a molecular weight of 312.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 129439178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).