N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide

C20H26N2O2 — CID 9215551

IUPACN-(2-adamantylideneamino)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H26N2O2/c1-12(2)24-18-5-3-15(4-6-18)20(23)22-21-19-16-8-13-7-14(10-16)11-17(19)9-13/h3-6,12-14,16-17H,7-11H2,1-2H3,(H,22,23)/b21-19-
InChIKeyABHAROFUUUCFRT-VZCXRCSSSA-N
MW326.44 g/mol
LogP4.02
Rot. Bonds4

About N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide

N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide (PubChem CID 9215551) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-adamantylideneamino)-4-propan-2-yloxybenzamide
PubChem CID9215551
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2-adamantylideneamino)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C20H26N2O2/c1-12(2)24-18-5-3-15(4-6-18)20(23)22-21-19-16-8-13-7-14(10-16)11-17(19)9-13/h3-6,12-14,16-17H,7-11H2,1-2H3,(H,22,23)/b21-19-
InChIKeyABHAROFUUUCFRT-VZCXRCSSSA-N
XLogP4.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.02
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-[(1R)-1-(1-adamantyl)ethyl]-4-propan-2-yloxybenzamide
CID 7929555
N-[(Z)-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-propan-2-yloxybenzamide
CID 9215377
N-[(Z)-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-propan-2-yloxybenzamide
CID 9215380
N-(2-adamantylideneamino)-3-amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869859
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215546
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide (CID 9215551) is N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide?
The InChIKey is ABHAROFUUUCFRT-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-12(2)24-18-5-3-15(4-6-18)20(23)22-21-19-16-8-13-7-14(10-16)11-17(19)9-13/h3-6,12-14,16-17H,7-11H2,1-2H3,(H,22,23)/b21-19-.
What are the key properties of N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide?
N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide has a molecular weight of 326.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylideneamino)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).