(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide

C17H27N3O3 — CID 119740412

IUPAC(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
SMILESCCNC(=O)COc1cccc(CNC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C17H27N3O3/c1-4-19-16(21)11-23-14-7-5-6-13(9-14)10-20-17(22)15(18)8-12(2)3/h5-7,9,12,15H,4,8,10-11,18H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyHTBDLWMIEFGZGV-HNNXBMFYSA-N
MW321.42 g/mol
LogP1.19
Rot. Bonds9

About (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide

(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide (PubChem CID 119740412) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
PubChem CID119740412
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide
SMILESCCNC(=O)COc1cccc(CNC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C17H27N3O3/c1-4-19-16(21)11-23-14-7-5-6-13(9-14)10-20-17(22)15(18)8-12(2)3/h5-7,9,12,15H,4,8,10-11,18H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyHTBDLWMIEFGZGV-HNNXBMFYSA-N
XLogP1.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
2-[3-(2-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 54930628
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
N-ethyl-2-[3-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide
CID 111235919
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide (CID 119740412) is (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide is CCNC(=O)COc1cccc(CNC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide?
The InChIKey is HTBDLWMIEFGZGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-19-16(21)11-23-14-7-5-6-13(9-14)10-20-17(22)15(18)8-12(2)3/h5-7,9,12,15H,4,8,10-11,18H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide?
(2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide has a molecular weight of 321.42 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-4-methylpentanamide is sourced from PubChem (CID 119740412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).