3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide

C27H31NO4 — CID 18320533

IUPAC3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cc(OC)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C27H31NO4/c1-30-23-6-4-22(5-7-23)28-27(29)21-13-20(14-24(15-21)31-2)26(32-3)25-18-9-16-8-17(11-18)12-19(25)10-16/h4-7,13-19H,8-12H2,1-3H3,(H,28,29)/b26-25-
InChIKeyPZHLUTNPPFSFQU-QPLCGJKRSA-N
MW433.55 g/mol
LogP5.77
Rot. Bonds6

About 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide

3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide (PubChem CID 18320533) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide
PubChem CID18320533
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC Name3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1cc(OC)cc(C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C27H31NO4/c1-30-23-6-4-22(5-7-23)28-27(29)21-13-20(14-24(15-21)31-2)26(32-3)25-18-9-16-8-17(11-18)12-19(25)10-16/h4-7,13-19H,8-12H2,1-3H3,(H,28,29)/b26-25-
InChIKeyPZHLUTNPPFSFQU-QPLCGJKRSA-N
XLogP5.77
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[methoxy-[3-methoxy-5-[(4-methoxyphenyl)methyl]phenyl]methylidene]adamantane
CID 54131966
3-[2-adamantylidene(methoxy)methyl]-5-methoxyphenol
CID 18320548
2-[(3-chloro-5-methoxyphenyl)-methoxymethylidene]adamantane
CID 22948017
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol
CID 14645568
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995

Frequently Asked Questions

What is the IUPAC name of 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide (CID 18320533) is 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide is COC(=C1C2CC3CC(C2)CC1C3)c1cc(OC)cc(C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide?
The InChIKey is PZHLUTNPPFSFQU-QPLCGJKRSA-N. The full InChI is InChI=1S/C27H31NO4/c1-30-23-6-4-22(5-7-23)28-27(29)21-13-20(14-24(15-21)31-2)26(32-3)25-18-9-16-8-17(11-18)12-19(25)10-16/h4-7,13-19H,8-12H2,1-3H3,(H,28,29)/b26-25-.
What are the key properties of 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide?
3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide has a molecular weight of 433.55 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-adamantylidene(methoxy)methyl]-5-methoxy-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 18320533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).