2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide

C16H24N4O3 — CID 128996448

IUPAC2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
SMILESCN1CCOC(CN(CC(N)=O)C(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H24N4O3/c1-19-7-8-23-14(10-19)11-20(12-15(17)21)16(22)18-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,17,21)(H,18,22)
InChIKeyBDCGVGKQAWLGLX-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.01
Rot. Bonds6

About 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide

2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide (PubChem CID 128996448) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
PubChem CID128996448
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
SMILESCN1CCOC(CN(CC(N)=O)C(=O)NCc2ccccc2)C1
InChIInChI=1S/C16H24N4O3/c1-19-7-8-23-14(10-19)11-20(12-15(17)21)16(22)18-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,17,21)(H,18,22)
InChIKeyBDCGVGKQAWLGLX-UHFFFAOYSA-N
XLogP0.01
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[furan-3-ylmethylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 154753725
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(2-pyrrol-1-ylethylcarbamoyl)amino]acetamide
CID 129341772
1-(cyclopropylmethyl)-3-(furan-3-ylmethyl)-1-[[(2S)-4-methylmorpholin-2-yl]methyl]urea
CID 129478739
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
benzyl N-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamate
CID 110710538
2-[[(1R)-cyclohex-2-en-1-yl]carbamoyl-[[(2S)-4-methylmorpholin-2-yl]methyl]amino]acetamide
CID 129330452
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-[[(2R)-4-methylmorpholin-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 129323420
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
2-[N-[(4-methylmorpholin-2-yl)methyl]anilino]acetic acid
CID 79182777
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
1-benzyl-3-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 125436994

Frequently Asked Questions

What is the IUPAC name of 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide?
The IUPAC name of 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide (CID 128996448) is 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide?
The canonical SMILES for 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide is CN1CCOC(CN(CC(N)=O)C(=O)NCc2ccccc2)C1.
What is the InChIKey of 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide?
The InChIKey is BDCGVGKQAWLGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19-7-8-23-14(10-19)11-20(12-15(17)21)16(22)18-9-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,17,21)(H,18,22).
What are the key properties of 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide?
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 128996448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).