(2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide

C19H28N2O3 — CID 75373195

IUPAC(2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
SMILESCOCC(=O)N[C@H](C(=O)NC(C)c1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C19H28N2O3/c1-12(2)18(21-17(22)11-24-4)19(23)20-13(3)15-9-8-14-6-5-7-16(14)10-15/h8-10,12-13,18H,5-7,11H2,1-4H3,(H,20,23)(H,21,22)/t13?,18-/m0/s1
InChIKeyRZBKOHNELWQJHG-UWBLVGDVSA-N
MW332.44 g/mol
LogP2.14
Rot. Bonds7

About (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide

(2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide (PubChem CID 75373195) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
PubChem CID75373195
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide
SMILESCOCC(=O)N[C@H](C(=O)NC(C)c1ccc2c(c1)CCC2)C(C)C
InChIInChI=1S/C19H28N2O3/c1-12(2)18(21-17(22)11-24-4)19(23)20-13(3)15-9-8-14-6-5-7-16(14)10-15/h8-10,12-13,18H,5-7,11H2,1-4H3,(H,20,23)(H,21,22)/t13?,18-/m0/s1
InChIKeyRZBKOHNELWQJHG-UWBLVGDVSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191858
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3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
CID 61180622
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
2-(4-fluorophenoxy)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396086
[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl] 2,6-dimethoxybenzoate
CID 8872401
3-(ethylamino)-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62851480
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 94487783
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2,2-dimethylpropanamide
CID 133185989
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 94487638

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The IUPAC name of (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide (CID 75373195) is (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide is COCC(=O)N[C@H](C(=O)NC(C)c1ccc2c(c1)CCC2)C(C)C.
What is the InChIKey of (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
The InChIKey is RZBKOHNELWQJHG-UWBLVGDVSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)18(21-17(22)11-24-4)19(23)20-13(3)15-9-8-14-6-5-7-16(14)10-15/h8-10,12-13,18H,5-7,11H2,1-4H3,(H,20,23)(H,21,22)/t13?,18-/m0/s1.
What are the key properties of (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide?
(2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide has a molecular weight of 332.44 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(2-methoxyacetyl)amino]-3-methylbutanamide is sourced from PubChem (CID 75373195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).