benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

C16H23N3O5 — CID 126009561

IUPACbenzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCOCCCNC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H23N3O5/c1-23-9-5-8-17-14(20)10-18-15(21)11-19-16(22)24-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyQIKVMHOXBIFTRW-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.18
Rot. Bonds10

About benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate

benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 126009561) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID126009561
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Namebenzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCOCCCNC(=O)CNC(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C16H23N3O5/c1-23-9-5-8-17-14(20)10-18-15(21)11-19-16(22)24-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyQIKVMHOXBIFTRW-UHFFFAOYSA-N
XLogP0.18
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 118927964
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
CID 135285198
benzyl N-[2-[6-(acridine-9-carbonylamino)hexylamino]-2-oxoethyl]carbamate
CID 10720544
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[2-(diethoxyphosphorylmethylamino)-2-oxoethyl]carbamate
CID 15458754
benzyl N-[(5S)-5-[[(2S)-2,6-bis(phenylmethoxycarbonylamino)hexanoyl]amino]-6-[3-[2-[2-[3-[3-[2-(2-methoxyethoxy)ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylamino]-6-oxohexyl]carbamate
CID 89391531
benzyl (2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
CID 92526571
(2R)-3-phenyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 54179329
benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
CID 167763104
benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 126009561) is benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is COCCCNC(=O)CNC(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is QIKVMHOXBIFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-23-9-5-8-17-14(20)10-18-15(21)11-19-16(22)24-12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-12H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 337.38 g/mol, XLogP of 0.18, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 126009561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).