[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid

C19H21N3O4 — CID 19047782

IUPAC[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
SMILESCC(Cc1c[nH]c2ccccc12)(NC(=O)O)C(=O)NCCc1ccco1
InChIInChI=1S/C19H21N3O4/c1-19(22-18(24)25,17(23)20-9-8-14-5-4-10-26-14)11-13-12-21-16-7-3-2-6-15(13)16/h2-7,10,12,21-22H,8-9,11H2,1H3,(H,20,23)(H,24,25)
InChIKeyYULQABOFBKLIBL-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.69
Rot. Bonds7

About [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid

[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid (PubChem CID 19047782) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
PubChem CID19047782
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
SMILESCC(Cc1c[nH]c2ccccc12)(NC(=O)O)C(=O)NCCc1ccco1
InChIInChI=1S/C19H21N3O4/c1-19(22-18(24)25,17(23)20-9-8-14-5-4-10-26-14)11-13-12-21-16-7-3-2-6-15(13)16/h2-7,10,12,21-22H,8-9,11H2,1H3,(H,20,23)(H,24,25)
InChIKeyYULQABOFBKLIBL-UHFFFAOYSA-N
XLogP2.69
TPSA107.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
CID 23356005
cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 10455561
2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide
CID 54112601
(2,4-difluorophenyl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 57261981
[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl]amino]propan-2-yl]carbamic acid
CID 67684517
(2R)-2-amino-N-(furan-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 124638519
(2R)-2-(ethoxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 10017089
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 10074744
2-(ethylamino)-N-[2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 62831566
4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 18386748

Frequently Asked Questions

What is the IUPAC name of [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid (CID 19047782) is [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid is CC(Cc1c[nH]c2ccccc12)(NC(=O)O)C(=O)NCCc1ccco1.
What is the InChIKey of [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
The InChIKey is YULQABOFBKLIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-19(22-18(24)25,17(23)20-9-8-14-5-4-10-26-14)11-13-12-21-16-7-3-2-6-15(13)16/h2-7,10,12,21-22H,8-9,11H2,1H3,(H,20,23)(H,24,25).
What are the key properties of [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid?
[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid has a molecular weight of 355.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 19047782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).