tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate

C18H28N2O3 — CID 107239747

IUPACtert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
SMILESCCC(Nc1cc(OC)ccc1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H28N2O3/c1-6-14(12-7-8-12)19-16-11-13(22-5)9-10-15(16)20-17(21)23-18(2,3)4/h9-12,14,19H,6-8H2,1-5H3,(H,20,21)
InChIKeyYPKZLULSYRMZOU-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.64
Rot. Bonds6

About tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate

tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate (PubChem CID 107239747) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
PubChem CID107239747
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate
SMILESCCC(Nc1cc(OC)ccc1NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C18H28N2O3/c1-6-14(12-7-8-12)19-16-11-13(22-5)9-10-15(16)20-17(21)23-18(2,3)4/h9-12,14,19H,6-8H2,1-5H3,(H,20,21)
InChIKeyYPKZLULSYRMZOU-UHFFFAOYSA-N
XLogP4.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(1-cyclopropyl-2-methoxyethyl)amino]-4-fluorophenyl]carbamate
CID 107240818
tert-butyl N-[4-methoxy-2-(3-methoxybutan-2-ylamino)phenyl]carbamate
CID 107239711
tert-butyl N-[2-(2-cyclopentyl-2-hydroxyethyl)-4-methoxyphenyl]carbamate
CID 67684676
tert-butyl N-[2-[(3-aminocyclopentyl)amino]-4-methoxyphenyl]carbamate
CID 107239722
tert-butyl N-[4-methoxy-2-(3-methylbutylamino)phenyl]carbamate
CID 107239683
tert-butyl N-[2-(3-ethyl-2-oxopentyl)-5-methoxyphenyl]carbamate
CID 69097038
tert-butyl N-[2-(2-cyclopropyl-2-oxoethyl)-4-methoxyphenyl]carbamate;ethane
CID 143915168
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-[4-methoxy-2-[(1-methylpyrrolidin-3-yl)amino]phenyl]carbamate
CID 107239677
tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
CID 107239688
tert-butyl N-[4-methoxy-2-(4-methylsulfanylbutylamino)phenyl]carbamate
CID 107239738
tert-butyl N-(4-methoxy-2-prop-1-en-2-ylphenyl)carbamate
CID 71540754

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate (CID 107239747) is tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate is CCC(Nc1cc(OC)ccc1NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate?
The InChIKey is YPKZLULSYRMZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-14(12-7-8-12)19-16-11-13(22-5)9-10-15(16)20-17(21)23-18(2,3)4/h9-12,14,19H,6-8H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate?
tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-cyclopropylpropylamino)-4-methoxyphenyl]carbamate is sourced from PubChem (CID 107239747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).