N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide

C22H20N2O3 — CID 54300639

IUPACN-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide
SMILESCOc1cc(OCNC=O)c2c3ccccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C22H20N2O3/c1-26-17-11-20-22(21(12-17)27-15-23-14-25)18-9-5-6-10-19(18)24(20)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,25)
InChIKeySDXVQSXGVQIVOY-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.93
Rot. Bonds7

About N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide

N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide (PubChem CID 54300639) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide.

Molecular Properties

Compound NameN-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide
PubChem CID54300639
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide
SMILESCOc1cc(OCNC=O)c2c3ccccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C22H20N2O3/c1-26-17-11-20-22(21(12-17)27-15-23-14-25)18-9-5-6-10-19(18)24(20)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,25)
InChIKeySDXVQSXGVQIVOY-UHFFFAOYSA-N
XLogP3.93
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide?
The IUPAC name of N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide (CID 54300639) is N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide.
What is the SMILES notation for N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide?
The canonical SMILES for N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide is COc1cc(OCNC=O)c2c3ccccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide?
The InChIKey is SDXVQSXGVQIVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-26-17-11-20-22(21(12-17)27-15-23-14-25)18-9-5-6-10-19(18)24(20)13-16-7-3-2-4-8-16/h2-12,14H,13,15H2,1H3,(H,23,25).
What are the key properties of N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide?
N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide has a molecular weight of 360.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide is sourced from PubChem (CID 54300639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).