N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

C19H26N4O2 — CID 99791562

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)NCCc2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C19H26N4O2/c1-2-10-22-11-5-12-23(14-18(22)24)19(25)20-9-8-15-13-21-17-7-4-3-6-16(15)17/h3-4,6-7,13,21H,2,5,8-12,14H2,1H3,(H,20,25)
InChIKeyVUBXXIIMZLXDKQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (PubChem CID 99791562) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
PubChem CID99791562
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)NCCc2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C19H26N4O2/c1-2-10-22-11-5-12-23(14-18(22)24)19(25)20-9-8-15-13-21-17-7-4-3-6-16(15)17/h3-4,6-7,13,21H,2,5,8-12,14H2,1H3,(H,20,25)
InChIKeyVUBXXIIMZLXDKQ-UHFFFAOYSA-N
XLogP2.36
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-methoxyethyl)-3-oxo-1,4-diazepane-1-carboxamide
CID 119044397
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
4-[(3-oxo-4-propyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022698
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 55457795
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
2-(1H-indol-3-yl)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110743638
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
1-[3-(1H-indol-3-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122001294
N-[2-(1H-indol-3-yl)ethyl]-4-(thian-4-yl)piperazine-1-carboxamide
CID 119065686

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (CID 99791562) is N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is CCCN1CCCN(C(=O)NCCc2c[nH]c3ccccc23)CC1=O.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is VUBXXIIMZLXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-10-22-11-5-12-23(14-18(22)24)19(25)20-9-8-15-13-21-17-7-4-3-6-16(15)17/h3-4,6-7,13,21H,2,5,8-12,14H2,1H3,(H,20,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 99791562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).