methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate

C13H18N2O3 — CID 82835955

IUPACmethyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-17-13(16)15-11-5-2-4-10(8-11)14-9-12-6-3-7-18-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16)
InChIKeyAVVCWAHUYXVRNZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.46
Rot. Bonds4

About methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate

methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate (PubChem CID 82835955) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
PubChem CID82835955
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-17-13(16)15-11-5-2-4-10(8-11)14-9-12-6-3-7-18-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16)
InChIKeyAVVCWAHUYXVRNZ-UHFFFAOYSA-N
XLogP2.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 82834678
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
N-(3-methoxyphenyl)-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109207018
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
methyl 3-[[2-(oxolan-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109252629
N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112857317
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate (CID 82835955) is methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate is COC(=O)Nc1cccc(NCC2CCCO2)c1.
What is the InChIKey of methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate?
The InChIKey is AVVCWAHUYXVRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-13(16)15-11-5-2-4-10(8-11)14-9-12-6-3-7-18-12/h2,4-5,8,12,14H,3,6-7,9H2,1H3,(H,15,16).
What are the key properties of methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate?
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 82835955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).