(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide

C19H28N2O4 — CID 95159522

IUPAC(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide
SMILESCCOCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C19H28N2O4/c1-3-24-11-12-25-14(2)18(22)21-17(19(23)20-16-9-10-16)13-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,20,23)(H,21,22)/t14-,17-/m0/s1
InChIKeyKDAVVLLDIUNHML-YOEHRIQHSA-N
MW348.44 g/mol
LogP1.43
Rot. Bonds11

About (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide

(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide (PubChem CID 95159522) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide
PubChem CID95159522
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide
SMILESCCOCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C19H28N2O4/c1-3-24-11-12-25-14(2)18(22)21-17(19(23)20-16-9-10-16)13-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,20,23)(H,21,22)/t14-,17-/m0/s1
InChIKeyKDAVVLLDIUNHML-YOEHRIQHSA-N
XLogP1.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
[2-[2-(2-ethoxyethoxy)ethoxy]-1-methoxyethyl] N-[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 139578357
cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675280
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219180
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
CID 166180453
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004
N-[1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-2-(1-hydroxyethyl)but-3-enamide
CID 123189621
(2R)-2-[[(2R)-2-methoxypropanoyl]amino]-N,3-diphenylpropanamide
CID 95617951
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide (CID 95159522) is (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide is CCOCCO[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide?
The InChIKey is KDAVVLLDIUNHML-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-24-11-12-25-14(2)18(22)21-17(19(23)20-16-9-10-16)13-15-7-5-4-6-8-15/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,20,23)(H,21,22)/t14-,17-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide?
(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide has a molecular weight of 348.44 g/mol, XLogP of 1.43, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 95159522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).