butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate

C18H27N3O2 — CID 139908727

IUPACbutyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCCc1c[nH]c2ccc(CN(C)C)cc12
InChIInChI=1S/C18H27N3O2/c1-4-5-10-23-18(22)19-9-8-15-12-20-17-7-6-14(11-16(15)17)13-21(2)3/h6-7,11-12,20H,4-5,8-10,13H2,1-3H3,(H,19,22)
InChIKeySEJRTCBVIITPRC-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.30
Rot. Bonds8

About butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate

butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate (PubChem CID 139908727) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
PubChem CID139908727
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Namebutyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCCc1c[nH]c2ccc(CN(C)C)cc12
InChIInChI=1S/C18H27N3O2/c1-4-5-10-23-18(22)19-9-8-15-12-20-17-7-6-14(11-16(15)17)13-21(2)3/h6-7,11-12,20H,4-5,8-10,13H2,1-3H3,(H,19,22)
InChIKeySEJRTCBVIITPRC-UHFFFAOYSA-N
XLogP3.30
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
benzyl N-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]carbamate
CID 14555103
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
5-O-[3-[2-(icosanoylamino)ethyl]-1H-indol-5-yl] 1-O-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethyl] pentanedioate
CID 172994497
4-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indol-5-yl]oxy]butanoic acid
CID 177224791
[(Z)-3-chlorobut-2-enyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 45109027

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate?
The IUPAC name of butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate (CID 139908727) is butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate.
What is the SMILES notation for butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate?
The canonical SMILES for butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate is CCCCOC(=O)NCCc1c[nH]c2ccc(CN(C)C)cc12.
What is the InChIKey of butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate?
The InChIKey is SEJRTCBVIITPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-5-10-23-18(22)19-9-8-15-12-20-17-7-6-14(11-16(15)17)13-21(2)3/h6-7,11-12,20H,4-5,8-10,13H2,1-3H3,(H,19,22).
What are the key properties of butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate?
butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate has a molecular weight of 317.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-[5-[(dimethylamino)methyl]-1H-indol-3-yl]ethyl]carbamate is sourced from PubChem (CID 139908727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).