N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide

C21H22N2O2 — CID 51212011

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC1COc2ccccc2C1
InChIInChI=1S/C21H22N2O2/c24-21(10-9-17-13-22-19-7-3-2-6-18(17)19)23-12-15-11-16-5-1-4-8-20(16)25-14-15/h1-8,13,15,22H,9-12,14H2,(H,23,24)
InChIKeyYMKYNBGPJODXPM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.47
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 51212011) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
PubChem CID51212011
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCC1COc2ccccc2C1
InChIInChI=1S/C21H22N2O2/c24-21(10-9-17-13-22-19-7-3-2-6-18(17)19)23-12-15-11-16-5-1-4-8-20(16)25-14-15/h1-8,13,15,22H,9-12,14H2,(H,23,24)
InChIKeyYMKYNBGPJODXPM-UHFFFAOYSA-N
XLogP3.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 47026499
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1H-benzimidazol-2-yl)propanamide
CID 96529378
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 97114800
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 97154007
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
3-(1H-indol-3-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 126463783
3-(1H-indol-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524941

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide (CID 51212011) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is YMKYNBGPJODXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(10-9-17-13-22-19-7-3-2-6-18(17)19)23-12-15-11-16-5-1-4-8-20(16)25-14-15/h1-8,13,15,22H,9-12,14H2,(H,23,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 51212011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).