N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide

C22H27N3O — CID 72684242

IUPACN-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(C=CC(=O)NCCCN(C)C)ccc21
InChIInChI=1S/C22H27N3O/c1-4-25-20-9-6-5-8-18(20)19-16-17(10-12-21(19)25)11-13-22(26)23-14-7-15-24(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,23,26)
InChIKeyCMLXPXDKWROGGN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.90
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide

N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide (PubChem CID 72684242) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
PubChem CID72684242
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
SMILESCCn1c2ccccc2c2cc(C=CC(=O)NCCCN(C)C)ccc21
InChIInChI=1S/C22H27N3O/c1-4-25-20-9-6-5-8-18(20)19-16-17(10-12-21(19)25)11-13-22(26)23-14-7-15-24(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,23,26)
InChIKeyCMLXPXDKWROGGN-UHFFFAOYSA-N
XLogP3.90
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide 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

(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
CID 103599343
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(3-methoxy-4-methylphenyl)penta-1,4-dien-3-one
CID 58442655
3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylamino)propyl]prop-2-enamide
CID 2890519
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
(E)-N-(9-ethylcarbazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 17164828
(1E,4E)-1-(9-ethylcarbazol-3-yl)-5-(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
CID 89057721

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide (CID 72684242) is N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide is CCn1c2ccccc2c2cc(C=CC(=O)NCCCN(C)C)ccc21.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
The InChIKey is CMLXPXDKWROGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-25-20-9-6-5-8-18(20)19-16-17(10-12-21(19)25)11-13-22(26)23-14-7-15-24(2)3/h5-6,8-13,16H,4,7,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide?
N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide has a molecular weight of 349.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide is sourced from PubChem (CID 72684242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).