propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate

C20H32N2O5 — CID 141411372

IUPACpropan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCOc1ccc(OCC(C)NC(=O)C(CC(C)C)NC(=O)OC(C)C)cc1
InChIInChI=1S/C20H32N2O5/c1-13(2)11-18(22-20(24)27-14(3)4)19(23)21-15(5)12-26-17-9-7-16(25-6)8-10-17/h7-10,13-15,18H,11-12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyIBMBKLLLCACVGK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.13
Rot. Bonds10

About propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate

propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 141411372) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID141411372
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Namepropan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCOc1ccc(OCC(C)NC(=O)C(CC(C)C)NC(=O)OC(C)C)cc1
InChIInChI=1S/C20H32N2O5/c1-13(2)11-18(22-20(24)27-14(3)4)19(23)21-15(5)12-26-17-9-7-16(25-6)8-10-17/h7-10,13-15,18H,11-12H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyIBMBKLLLCACVGK-UHFFFAOYSA-N
XLogP3.13
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate
CID 141411386
propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 141411394
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
(2R)-2-amino-4-methyl-N-[1-(4-methylphenoxy)propan-2-yl]pentanamide
CID 104903220
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 93486437
propan-2-yl N-[4-methyl-1-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]-1-oxopentan-2-yl]carbamate
CID 141407013
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132652458
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
2-(4-ethylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100589508

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 141411372) is propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate is COc1ccc(OCC(C)NC(=O)C(CC(C)C)NC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is IBMBKLLLCACVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-13(2)11-18(22-20(24)27-14(3)4)19(23)21-15(5)12-26-17-9-7-16(25-6)8-10-17/h7-10,13-15,18H,11-12H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate?
propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 141411372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).