N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide

C21H25N3O2 — CID 22458813

IUPACN-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21
InChIInChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25)
InChIKeyBATNXUUVRXVQTA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.48
Rot. Bonds5

About N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide

N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide (PubChem CID 22458813) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide
PubChem CID22458813
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21
InChIInChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25)
InChIKeyBATNXUUVRXVQTA-UHFFFAOYSA-N
XLogP3.48
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide (CID 22458813) is N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide is CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide?
The InChIKey is BATNXUUVRXVQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-24-19-6-4-3-5-17(19)18-15-16(7-8-20(18)24)22-21(25)9-10-23-11-13-26-14-12-23/h3-8,15H,2,9-14H2,1H3,(H,22,25).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide?
N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide has a molecular weight of 351.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 22458813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).