methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate

C12H18N2O2 — CID 115004244

IUPACmethyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(C)CCN)c1
InChIInChI=1S/C12H18N2O2/c1-9(6-7-13)10-4-3-5-11(8-10)14-12(15)16-2/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyCOLZMFXKFWCYJI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.32
Rot. Bonds4

About methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate

methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate (PubChem CID 115004244) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
PubChem CID115004244
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(C)CCN)c1
InChIInChI=1S/C12H18N2O2/c1-9(6-7-13)10-4-3-5-11(8-10)14-12(15)16-2/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyCOLZMFXKFWCYJI-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-hydroxybutan-2-yl)phenyl]carbamate
CID 139349481
tert-butyl N-[3-[(2R)-4-hydroxybutan-2-yl]phenyl]carbamate
CID 139349721
methyl N-[3-[(3-amino-2-methylpropanoyl)amino]phenyl]carbamate
CID 62670350
[3-(1-hydroxypropan-2-yl)phenyl]urea
CID 117284641
methyl N-[3-(1-phenylethylamino)phenyl]carbamate
CID 60942216
methyl N-[3-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65229667
3-[3-(2-methoxypropan-2-yl)phenyl]butan-1-amine
CID 115113501
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
methyl N-[3-[[(2S)-pentan-2-yl]carbamoylamino]phenyl]carbamate
CID 94152562
propan-2-yl N-(3-propan-2-ylphenyl)carbamate
CID 15649383
tert-butyl N-[3-[(2R)-4-hydroxyiminobutan-2-yl]phenyl]carbamate
CID 150183967
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate?
The IUPAC name of methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate (CID 115004244) is methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate is COC(=O)Nc1cccc(C(C)CCN)c1.
What is the InChIKey of methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate?
The InChIKey is COLZMFXKFWCYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(6-7-13)10-4-3-5-11(8-10)14-12(15)16-2/h3-5,8-9H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate?
methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate has a molecular weight of 222.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(4-aminobutan-2-yl)phenyl]carbamate is sourced from PubChem (CID 115004244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).