butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate

C18H24N2O3 — CID 154324690

IUPACbutyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate
SMILESCCCCOC(=O)NC(CC(=O)CC)c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-3-5-10-23-18(22)20-17(11-13(21)4-2)15-12-19-16-9-7-6-8-14(15)16/h6-9,12,17,19H,3-5,10-11H2,1-2H3,(H,20,22)
InChIKeyOFMLSMNMLQKALN-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.10
Rot. Bonds8

About butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate

butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate (PubChem CID 154324690) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate
PubChem CID154324690
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namebutyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate
SMILESCCCCOC(=O)NC(CC(=O)CC)c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O3/c1-3-5-10-23-18(22)20-17(11-13(21)4-2)15-12-19-16-9-7-6-8-14(15)16/h6-9,12,17,19H,3-5,10-11H2,1-2H3,(H,20,22)
InChIKeyOFMLSMNMLQKALN-UHFFFAOYSA-N
XLogP4.10
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.10
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

benzyl N-[1-(1H-indol-3-yl)pentyl]carbamate
CID 71745840
(3R)-3-(1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 34177615
benzyl N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate
CID 71746013
(2R)-2-[[(4R)-5-amino-4-(butoxycarbonylamino)-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 69036637
ethyl 5-(butoxycarbonylamino)-3-oxo-5-phenylpentanoate
CID 69129442
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
propyl (3R)-4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
CID 15364989
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate?
The IUPAC name of butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate (CID 154324690) is butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate.
What is the SMILES notation for butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate?
The canonical SMILES for butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate is CCCCOC(=O)NC(CC(=O)CC)c1c[nH]c2ccccc12.
What is the InChIKey of butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate?
The InChIKey is OFMLSMNMLQKALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-5-10-23-18(22)20-17(11-13(21)4-2)15-12-19-16-9-7-6-8-14(15)16/h6-9,12,17,19H,3-5,10-11H2,1-2H3,(H,20,22).
What are the key properties of butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate?
butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(1H-indol-3-yl)-3-oxopentyl]carbamate is sourced from PubChem (CID 154324690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).