[2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate

C32H32N4O5 — CID 23550595

IUPAC[2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCc2cc([N+](=O)[O-])ccc2OCn2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C32H32N4O5/c1-4-34(5-2)24-14-16-28(22(3)18-24)33-32(37)40-20-23-19-25(36(38)39)15-17-31(23)41-21-35-29-12-8-6-10-26(29)27-11-7-9-13-30(27)35/h6-19H,4-5,20-21H2,1-3H3,(H,33,37)
InChIKeyCPSWHELTEKACCO-UHFFFAOYSA-N
MW552.63 g/mol
LogP7.64
Rot. Bonds10

About [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate

[2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 23550595) has the molecular formula C32H32N4O5 and a molecular weight of 552.63 g/mol. Its IUPAC name is [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name[2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID23550595
Molecular FormulaC32H32N4O5
Molecular Weight552.63 g/mol
Exact Mass552.24
IUPAC Name[2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OCc2cc([N+](=O)[O-])ccc2OCn2c3ccccc3c3ccccc32)c(C)c1
InChIInChI=1S/C32H32N4O5/c1-4-34(5-2)24-14-16-28(22(3)18-24)33-32(37)40-20-23-19-25(36(38)39)15-17-31(23)41-21-35-29-12-8-6-10-26(29)27-11-7-9-13-30(27)35/h6-19H,4-5,20-21H2,1-3H3,(H,33,37)
InChIKeyCPSWHELTEKACCO-UHFFFAOYSA-N
XLogP7.64
TPSA98.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.63
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(1-cyclopropylethoxy)-3-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889617
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211503
2-benzylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22948513
2-(2-hydroxyethylsulfonylmethylsulfonyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23399598
1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
CID 113208003
N'-(2-carbamoylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108529438
(Z)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-[4-(diethylamino)-2-methylanilino]prop-2-enamide
CID 108853900
ethyl 2-(ethoxycarbonylamino)-5-nitrobenzoate
CID 135043789
N-[4-(diethylamino)phenyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108530617
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
N-[4-(diethylamino)-2-methylphenyl]-N'-(2-ethylphenyl)propanediamide
CID 108953999

Frequently Asked Questions

What is the IUPAC name of [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 23550595) is [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate is CCN(CC)c1ccc(NC(=O)OCc2cc([N+](=O)[O-])ccc2OCn2c3ccccc3c3ccccc32)c(C)c1.
What is the InChIKey of [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is CPSWHELTEKACCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O5/c1-4-34(5-2)24-14-16-28(22(3)18-24)33-32(37)40-20-23-19-25(36(38)39)15-17-31(23)41-21-35-29-12-8-6-10-26(29)27-11-7-9-13-30(27)35/h6-19H,4-5,20-21H2,1-3H3,(H,33,37).
What are the key properties of [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
[2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 552.63 g/mol, XLogP of 7.64, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbazol-9-ylmethoxy)-5-nitrophenyl]methyl N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 23550595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).