tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate

C18H30N2O3 — CID 107250395

IUPACtert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate
SMILESCCC(CNCc1cccc(COC)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-6-16(20-17(21)23-18(2,3)4)12-19-11-14-8-7-9-15(10-14)13-22-5/h7-10,16,19H,6,11-13H2,1-5H3,(H,20,21)
InChIKeyMYSPVGPNTBUYDL-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.23
Rot. Bonds8

About tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate

tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate (PubChem CID 107250395) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate
PubChem CID107250395
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate
SMILESCCC(CNCc1cccc(COC)c1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O3/c1-6-16(20-17(21)23-18(2,3)4)12-19-11-14-8-7-9-15(10-14)13-22-5/h7-10,16,19H,6,11-13H2,1-5H3,(H,20,21)
InChIKeyMYSPVGPNTBUYDL-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(3-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250360
tert-butyl N-[1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 107250270
tert-butyl N-[1-[(3-bromo-4-chlorophenyl)methylamino]butan-2-yl]carbamate
CID 107250724
tert-butyl N-[1-[(3,5-dibromo-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107741164
tert-butyl N-[1-[(3,5-difluoro-4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250323
tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
CID 107250372
tert-butyl N-[1-[(2-hydroxy-5-methoxyphenyl)methylamino]butan-2-yl]carbamate
CID 107250677
tert-butyl N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250458
2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
CID 61003057
tert-butyl N-[(2S,3S)-1-(benzylamino)-3-methylpentan-2-yl]carbamate
CID 142634434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate (CID 107250395) is tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate is CCC(CNCc1cccc(COC)c1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate?
The InChIKey is MYSPVGPNTBUYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-16(20-17(21)23-18(2,3)4)12-19-11-14-8-7-9-15(10-14)13-22-5/h7-10,16,19H,6,11-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate?
tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate is sourced from PubChem (CID 107250395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).