N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide

C22H27N3O — CID 22458823

IUPACN-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21
InChIInChI=1S/C22H27N3O/c1-16(2)25-20-8-4-3-7-18(20)19-15-17(9-10-21(19)25)23-22(26)11-14-24-12-5-6-13-24/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,23,26)
InChIKeyYORAWTCNKKJYGI-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.80
Rot. Bonds5

About N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide

N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 22458823) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide
PubChem CID22458823
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21
InChIInChI=1S/C22H27N3O/c1-16(2)25-20-8-4-3-7-18(20)19-15-17(9-10-21(19)25)23-22(26)11-14-24-12-5-6-13-24/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,23,26)
InChIKeyYORAWTCNKKJYGI-UHFFFAOYSA-N
XLogP4.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide (CID 22458823) is N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide is CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21.
What is the InChIKey of N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is YORAWTCNKKJYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-16(2)25-20-8-4-3-7-18(20)19-15-17(9-10-21(19)25)23-22(26)11-14-24-12-5-6-13-24/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide?
N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 349.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-propan-2-ylcarbazol-3-yl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 22458823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).