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

C16H25N3O3 — CID 174196710

IUPACtert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
SMILESCNCC(=O)NCc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-10-13-7-5-6-12(8-13)9-18-14(20)11-17-4/h5-8,17H,9-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyZYUWZIYZDPGZJV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.55
Rot. Bonds6

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

tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate (PubChem CID 174196710) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
PubChem CID174196710
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
SMILESCNCC(=O)NCc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-10-13-7-5-6-12(8-13)9-18-14(20)11-17-4/h5-8,17H,9-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyZYUWZIYZDPGZJV-UHFFFAOYSA-N
XLogP1.55
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
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[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl N-methylcarbamate
CID 23548893
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
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tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl N-[[3-(methylsulfanyloxymethyl)phenyl]methyl]carbamate
CID 129045870
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
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tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate (CID 174196710) is tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate is CNCC(=O)NCc1cccc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate?
The InChIKey is ZYUWZIYZDPGZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)22-15(21)19-10-13-7-5-6-12(8-13)9-18-14(20)11-17-4/h5-8,17H,9-11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate?
tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 174196710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).