(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide

C15H23N3O3 — CID 10979254

IUPAC(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
SMILESCCNCC(=O)N[C@@H](COC)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-3-16-10-14(19)18-13(11-21-2)15(20)17-9-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyFSSPPCWTSLEHFW-ZDUSSCGKSA-N
MW293.37 g/mol
LogP0.04
Rot. Bonds9

About (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide

(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide (PubChem CID 10979254) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
PubChem CID10979254
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide
SMILESCCNCC(=O)N[C@@H](COC)C(=O)NCc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-3-16-10-14(19)18-13(11-21-2)15(20)17-9-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyFSSPPCWTSLEHFW-ZDUSSCGKSA-N
XLogP0.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724
benzyl N-[(2R)-3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 66870075
benzyl N-[3-methoxy-1-[[4-(methoxymethyl)phenyl]methylamino]-1-oxopropan-2-yl]carbamate
CID 77199497
(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide
CID 144886390
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058
N-[2-(benzylamino)-2-oxoethyl]-3-(ethylamino)-2-methylpropanamide
CID 62851864
N-benzyl-2-(chloromethyl)-3-methoxypropanamide
CID 143985847
2-methylpropyl (2R)-3-(benzylamino)-2-(methoxymethyl)-3-oxopropanoate
CID 141445219
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
CID 160768830

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide?
The IUPAC name of (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide (CID 10979254) is (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide?
The canonical SMILES for (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide is CCNCC(=O)N[C@@H](COC)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide?
The InChIKey is FSSPPCWTSLEHFW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-16-10-14(19)18-13(11-21-2)15(20)17-9-12-7-5-4-6-8-12/h4-8,13,16H,3,9-11H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide?
(2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide has a molecular weight of 293.37 g/mol, XLogP of 0.04, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[[2-(ethylamino)acetyl]amino]-3-methoxypropanamide is sourced from PubChem (CID 10979254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).