3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide

C21H26N2O — CID 66728941

IUPAC3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CCn1c2ccccc2c2ccccc21)C(C)C
InChIInChI=1S/C21H26N2O/c1-15(2)23(16(3)4)21(24)13-14-22-19-11-7-5-9-17(19)18-10-6-8-12-20(18)22/h5-12,15-16H,13-14H2,1-4H3
InChIKeyDRTQUIQSCDLZII-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.83
Rot. Bonds5

About 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide

3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide (PubChem CID 66728941) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide
PubChem CID66728941
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CCn1c2ccccc2c2ccccc21)C(C)C
InChIInChI=1S/C21H26N2O/c1-15(2)23(16(3)4)21(24)13-14-22-19-11-7-5-9-17(19)18-10-6-8-12-20(18)22/h5-12,15-16H,13-14H2,1-4H3
InChIKeyDRTQUIQSCDLZII-UHFFFAOYSA-N
XLogP4.83
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-carbazol-9-yl-2-methylidenebutanoate
CID 155804383
ethyl 3-(3-aminocarbazol-9-yl)propanoate
CID 12051457
9-(4-methylpentyl)carbazole
CID 153073309
4-carbazol-9-ylbutane-1-sulfonic acid
CID 87202884
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
4-carbazol-9-yl-2-(methylamino)butanoic acid
CID 63038805
2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 1448986
1-(9-propylcarbazol-3-yl)butan-1-one
CID 145412526
9-docosylcarbazole
CID 10528568
9-hexadecylcarbazole
CID 4166588
2-carbazol-9-yl-N,N-dipropylacetamide
CID 14874688
5-carbazol-9-yl-2-methylidenepentanoic acid
CID 67001914

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide (CID 66728941) is 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)CCn1c2ccccc2c2ccccc21)C(C)C.
What is the InChIKey of 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide?
The InChIKey is DRTQUIQSCDLZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15(2)23(16(3)4)21(24)13-14-22-19-11-7-5-9-17(19)18-10-6-8-12-20(18)22/h5-12,15-16H,13-14H2,1-4H3.
What are the key properties of 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide?
3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide has a molecular weight of 322.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 66728941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).