2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C29H33N5O3 — CID 2521087

IUPAC2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)ccc21
InChIInChI=1S/C29H33N5O3/c1-3-34-26-7-5-4-6-24(26)25-18-22(10-13-27(25)34)31-29(36)20-32(2)19-28(35)30-21-8-11-23(12-9-21)33-14-16-37-17-15-33/h4-13,18H,3,14-17,19-20H2,1-2H3,(H,30,35)(H,31,36)
InChIKeyGFDABDQMFAMKGW-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.16
Rot. Bonds8

About 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2521087) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2521087
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)ccc21
InChIInChI=1S/C29H33N5O3/c1-3-34-26-7-5-4-6-24(26)25-18-22(10-13-27(25)34)31-29(36)20-32(2)19-28(35)30-21-8-11-23(12-9-21)33-14-16-37-17-15-33/h4-13,18H,3,14-17,19-20H2,1-2H3,(H,30,35)(H,31,36)
InChIKeyGFDABDQMFAMKGW-UHFFFAOYSA-N
XLogP4.16
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2521087) is 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CCn1c2ccccc2c2cc(NC(=O)CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)ccc21.
What is the InChIKey of 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is GFDABDQMFAMKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-3-34-26-7-5-4-6-24(26)25-18-22(10-13-27(25)34)31-29(36)20-32(2)19-28(35)30-21-8-11-23(12-9-21)33-14-16-37-17-15-33/h4-13,18H,3,14-17,19-20H2,1-2H3,(H,30,35)(H,31,36).
What are the key properties of 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 499.62 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2521087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).