3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

C26H29N3O2 — CID 76838229

IUPAC3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCC2N(CCn1ccc2ccccc21)CC1CC1)NO
InChIInChI=1S/C26H29N3O2/c30-26(27-31)12-8-19-7-10-23-22(17-19)9-11-25(23)29(18-20-5-6-20)16-15-28-14-13-21-3-1-2-4-24(21)28/h1-4,7-8,10,12-14,17,20,25,31H,5-6,9,11,15-16,18H2,(H,27,30)
InChIKeyBYWLQVASVSALNT-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.56
Rot. Bonds8

About 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide

3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (PubChem CID 76838229) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
PubChem CID76838229
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCC2N(CCn1ccc2ccccc21)CC1CC1)NO
InChIInChI=1S/C26H29N3O2/c30-26(27-31)12-8-19-7-10-23-22(17-19)9-11-25(23)29(18-20-5-6-20)16-15-28-14-13-21-3-1-2-4-24(21)28/h1-4,7-8,10,12-14,17,20,25,31H,5-6,9,11,15-16,18H2,(H,27,30)
InChIKeyBYWLQVASVSALNT-UHFFFAOYSA-N
XLogP4.56
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[1-[2-indol-1-ylethyl-[[4-(2-methoxyethoxy)phenyl]methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613911
(E)-3-[1-[2-(benzimidazol-1-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 87923049
N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide
CID 58613508
3-[1-[2-[1-(2-amino-2-oxoethyl)indol-3-yl]ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838121
N-hydroxy-3-[1-[2-(1-methylindol-3-yl)ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838014
N-hydroxy-3-[(1S)-1-[2-hydroxyethyl-[2-(2-methylphenyl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 173194718
3-[1-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl-[2-(1-methylindol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76838838
N-hydroxy-3-[1-[2-(1H-indol-2-yl)ethyl-(1H-pyrrol-2-ylmethyl)amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76837918
(E)-N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 58613820
3-[1-[2-(2-chlorophenyl)ethyl-(3-hydroxypropyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 76837994
N-hydroxy-3-[1-[2-(1H-indol-3-yl)ethyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enamide
CID 76838719
(E)-3-[1-[2-(1H-benzimidazol-2-yl)ethyl-(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide
CID 58613625

Frequently Asked Questions

What is the IUPAC name of 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide (CID 76838229) is 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is O=C(C=Cc1ccc2c(c1)CCC2N(CCn1ccc2ccccc21)CC1CC1)NO.
What is the InChIKey of 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
The InChIKey is BYWLQVASVSALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-26(27-31)12-8-19-7-10-23-22(17-19)9-11-25(23)29(18-20-5-6-20)16-15-28-14-13-21-3-1-2-4-24(21)28/h1-4,7-8,10,12-14,17,20,25,31H,5-6,9,11,15-16,18H2,(H,27,30).
What are the key properties of 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide?
3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide has a molecular weight of 415.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[cyclopropylmethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 76838229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).