methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate

C15H22N2O3 — CID 78815356

IUPACmethyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
SMILESCCN(CC(=O)NCCC(=O)OC)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-17(11-13-7-5-4-6-8-13)12-14(18)16-10-9-15(19)20-2/h4-8H,3,9-12H2,1-2H3,(H,16,18)
InChIKeyVGVMQAUYNCYYQX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.19
Rot. Bonds8

About methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate

methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate (PubChem CID 78815356) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
PubChem CID78815356
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
SMILESCCN(CC(=O)NCCC(=O)OC)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-3-17(11-13-7-5-4-6-8-13)12-14(18)16-10-9-15(19)20-2/h4-8H,3,9-12H2,1-2H3,(H,16,18)
InChIKeyVGVMQAUYNCYYQX-UHFFFAOYSA-N
XLogP1.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-(2-phenylethyl)acetamide
CID 32663206
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
2-[benzyl(ethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 78787355
methyl 2-[benzyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]acetate
CID 51091360
2-[benzyl(ethyl)amino]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 87012687
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
3-[benzyl(ethyl)amino]-N-(3-methoxypropyl)propanamide
CID 109015351
N-benzyl-2-(diethylamino)acetamide
CID 969777
methyl 3-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]propanoate
CID 78818348
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate (CID 78815356) is methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate is CCN(CC(=O)NCCC(=O)OC)Cc1ccccc1.
What is the InChIKey of methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate?
The InChIKey is VGVMQAUYNCYYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-17(11-13-7-5-4-6-8-13)12-14(18)16-10-9-15(19)20-2/h4-8H,3,9-12H2,1-2H3,(H,16,18).
What are the key properties of methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate?
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate has a molecular weight of 278.35 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 78815356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).