(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide

C21H23N3O2 — CID 59804386

IUPAC(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1cccc2c1C[C@@H](NCCCc1c[nH]c3ccccc13)CO2
InChIInChI=1S/C21H23N3O2/c22-21(25)17-7-3-9-20-18(17)11-15(13-26-20)23-10-4-5-14-12-24-19-8-2-1-6-16(14)19/h1-3,6-9,12,15,23-24H,4-5,10-11,13H2,(H2,22,25)/t15-/m1/s1
InChIKeyQUNHHJGFTAMACY-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.79
Rot. Bonds6

About (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide

(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 59804386) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID59804386
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESNC(=O)c1cccc2c1C[C@@H](NCCCc1c[nH]c3ccccc13)CO2
InChIInChI=1S/C21H23N3O2/c22-21(25)17-7-3-9-20-18(17)11-15(13-26-20)23-10-4-5-14-12-24-19-8-2-1-6-16(14)19/h1-3,6-9,12,15,23-24H,4-5,10-11,13H2,(H2,22,25)/t15-/m1/s1
InChIKeyQUNHHJGFTAMACY-OAHLLOKOSA-N
XLogP2.79
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-8-chloro-3-[3-(5-fluoro-1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide
CID 25139653
4-(1H-indol-3-yl)butanamide
CID 588715
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 51212011
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815
3-[3-[(1-oxo-3,7,8,9-tetrahydro-2H-pyrano[3,2-e]isoindol-8-yl)amino]propyl]-1H-indole-5-carbonitrile
CID 46225264
2-[3-(1H-indol-3-yl)propanoylamino]benzamide
CID 17415976
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopropane-1-carboxamide
CID 119778812
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(1H-indol-3-yl)butan-1-amine
CID 18923886
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-amino-N-[3-(1H-indol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119320799

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 59804386) is (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is NC(=O)c1cccc2c1C[C@@H](NCCCc1c[nH]c3ccccc13)CO2.
What is the InChIKey of (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is QUNHHJGFTAMACY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c22-21(25)17-7-3-9-20-18(17)11-15(13-26-20)23-10-4-5-14-12-24-19-8-2-1-6-16(14)19/h1-3,6-9,12,15,23-24H,4-5,10-11,13H2,(H2,22,25)/t15-/m1/s1.
What are the key properties of (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(1H-indol-3-yl)propylamino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 59804386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).