N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide

C14H18N2O4 — CID 170261831

IUPACN-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
SMILESCNC(=O)COCC(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-15-13(18)9-20-10-14(19)16-12(8-17)7-11-5-3-2-4-6-11/h2-6,8,12H,7,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyMFCWNWJWOSWOSR-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.32
Rot. Bonds8

About N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide

N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide (PubChem CID 170261831) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
PubChem CID170261831
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide
SMILESCNC(=O)COCC(=O)NC(C=O)Cc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-15-13(18)9-20-10-14(19)16-12(8-17)7-11-5-3-2-4-6-11/h2-6,8,12H,7,9-10H2,1H3,(H,15,18)(H,16,19)
InChIKeyMFCWNWJWOSWOSR-UHFFFAOYSA-N
XLogP-0.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
methyl 2-[2-[2-[2-[[(2S)-3-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]butan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetate
CID 56836474
(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
2-hydroxy-4-oxo-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethyl]-4-[(1-oxo-3-phenylpropan-2-yl)amino]butanoic acid
CID 129141821
(2S)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781042
(2R)-2-[[2-(2-hydroxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 124781041
2-amino-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide;copper
CID 173080162
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270
[1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]-3-phenylpropan-2-yl]carbamic acid
CID 134556289
2-(ethylamino)-3-phenylpropanal
CID 3325220
(2S)-2-amino-N-[2-oxo-2-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]ethyl]-3-phenylpropanamide
CID 175689376

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide?
The IUPAC name of N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide (CID 170261831) is N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide.
What is the SMILES notation for N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide?
The canonical SMILES for N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide is CNC(=O)COCC(=O)NC(C=O)Cc1ccccc1.
What is the InChIKey of N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide?
The InChIKey is MFCWNWJWOSWOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-13(18)9-20-10-14(19)16-12(8-17)7-11-5-3-2-4-6-11/h2-6,8,12H,7,9-10H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide?
N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide has a molecular weight of 278.31 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-oxo-2-[(1-oxo-3-phenylpropan-2-yl)amino]ethoxy]acetamide is sourced from PubChem (CID 170261831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).