(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide

C20H29N3O2 — CID 108842507

IUPAC(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\N1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3O2/c1-14(20-9-15-6-16(10-20)8-17(7-15)11-20)22-19(24)18(12-21)13-23-2-4-25-5-3-23/h13-17H,2-11H2,1H3,(H,22,24)/b18-13-
InChIKeyMMJNWVUYTCEHJZ-AQTBWJFISA-N
MW343.47 g/mol
LogP2.45
Rot. Bonds4

About (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide

(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide (PubChem CID 108842507) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide
PubChem CID108842507
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide
SMILESCC(NC(=O)/C(C#N)=C\N1CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3O2/c1-14(20-9-15-6-16(10-20)8-17(7-15)11-20)22-19(24)18(12-21)13-23-2-4-25-5-3-23/h13-17H,2-11H2,1H3,(H,22,24)/b18-13-
InChIKeyMMJNWVUYTCEHJZ-AQTBWJFISA-N
XLogP2.45
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108842744
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-enamide
CID 108842741
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(4-pyridin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108842752
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(2-methylpiperidin-1-yl)prop-2-enamide
CID 108842604
(Z)-N-[1-(1-adamantyl)ethyl]-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-cyanoprop-2-enamide
CID 108842743
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(2-methoxyethylamino)prop-2-enamide
CID 108842479
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108842655
methyl 2-[[(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-3-oxoprop-1-enyl]amino]acetate
CID 108842756
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-(2,6-diethylanilino)prop-2-enamide
CID 108842522
4-[[(Z)-3-[1-(1-adamantyl)ethylamino]-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108842678
N'-[1-(1-adamantyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 108509047
2-cyano-3-morpholin-4-yl-N-propylprop-2-enamide
CID 71946765

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide?
The IUPAC name of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide (CID 108842507) is (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide is CC(NC(=O)/C(C#N)=C\N1CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide?
The InChIKey is MMJNWVUYTCEHJZ-AQTBWJFISA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(20-9-15-6-16(10-20)8-17(7-15)11-20)22-19(24)18(12-21)13-23-2-4-25-5-3-23/h13-17H,2-11H2,1H3,(H,22,24)/b18-13-.
What are the key properties of (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide?
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide has a molecular weight of 343.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-morpholin-4-ylprop-2-enamide is sourced from PubChem (CID 108842507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).