tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate

C14H20N2O3 — CID 117415391

IUPACtert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate
SMILESCNCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11-7-5-6-10(8-11)12(17)9-15-4/h5-8,15H,9H2,1-4H3,(H,16,18)
InChIKeyKHPIRHJQSBYZRW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate

tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate (PubChem CID 117415391) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate
PubChem CID117415391
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate
SMILESCNCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11-7-5-6-10(8-11)12(17)9-15-4/h5-8,15H,9H2,1-4H3,(H,16,18)
InChIKeyKHPIRHJQSBYZRW-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
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[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
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tert-butyl N-[3-[[4-[[2-(methylamino)acetyl]amino]-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-4-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-3-oxopropyl]-7-oxoheptanoyl]amino]phenyl]carbamate
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tert-butyl N-(3-sulfanylphenyl)carbamate
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[2-(3-acetylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate (CID 117415391) is tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate is CNCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate?
The InChIKey is KHPIRHJQSBYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11-7-5-6-10(8-11)12(17)9-15-4/h5-8,15H,9H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate?
tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(methylamino)acetyl]phenyl]carbamate is sourced from PubChem (CID 117415391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).