N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C25H29N3O2 — CID 55868770

IUPACN-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cccc3c4c([nH]c23)CCCC4)c1
InChIInChI=1S/C25H29N3O2/c1-3-16(2)24(29)27-18-9-6-8-17(14-18)15-26-25(30)21-12-7-11-20-19-10-4-5-13-22(19)28-23(20)21/h6-9,11-12,14,16,28H,3-5,10,13,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyTWSJDTSYXHIQGS-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.96
Rot. Bonds6

About N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 55868770) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID55868770
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCCC(C)C(=O)Nc1cccc(CNC(=O)c2cccc3c4c([nH]c23)CCCC4)c1
InChIInChI=1S/C25H29N3O2/c1-3-16(2)24(29)27-18-9-6-8-17(14-18)15-26-25(30)21-12-7-11-20-19-10-4-5-13-22(19)28-23(20)21/h6-9,11-12,14,16,28H,3-5,10,13,15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyTWSJDTSYXHIQGS-UHFFFAOYSA-N
XLogP4.96
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329
3,5-dichloro-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 55749646
4-amino-N-[[3-(2-methylbutanoylamino)phenyl]methyl]benzamide
CID 119716862
2-methyl-N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-methylsulfanylbenzamide
CID 55749295
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46477911
methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
CID 46416882
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78882027
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408
6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 55868770) is N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CCC(C)C(=O)Nc1cccc(CNC(=O)c2cccc3c4c([nH]c23)CCCC4)c1.
What is the InChIKey of N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is TWSJDTSYXHIQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-16(2)24(29)27-18-9-6-8-17(14-18)15-26-25(30)21-12-7-11-20-19-10-4-5-13-22(19)28-23(20)21/h6-9,11-12,14,16,28H,3-5,10,13,15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 4.96, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 55868770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).