propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate

C19H30N2O4 — CID 141411386

IUPACpropan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)C)C(=O)NC(C)COc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-13(2)11-17(21-19(23)25-14(3)4)18(22)20-15(5)12-24-16-9-7-6-8-10-16/h6-10,13-15,17H,11-12H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyQZPPONYPCTXGHU-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.12
Rot. Bonds9

About propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate

propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate (PubChem CID 141411386) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate
PubChem CID141411386
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namepropan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OC(C)C)C(=O)NC(C)COc1ccccc1
InChIInChI=1S/C19H30N2O4/c1-13(2)11-17(21-19(23)25-14(3)4)18(22)20-15(5)12-24-16-9-7-6-8-10-16/h6-10,13-15,17H,11-12H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyQZPPONYPCTXGHU-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 141411372
propan-2-yl N-[1-[1-(3-chlorophenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 141411394
2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
propan-2-yl N-[4-methyl-1-[1-(4-methylphenyl)sulfonylpropan-2-ylamino]-1-oxopentan-2-yl]carbamate
CID 141407013
propan-2-yl N-[1-[1-(3-fluorophenoxy)propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 141411377
2,2,2-trifluoro-N-[(2R)-1-phenoxypropan-2-yl]acetamide
CID 86592663
2-(2-methoxyethoxy)ethyl N-[(2S)-1-[[(3S)-2-hydroxy-5-methyl-1-oxo-1-(2-phenoxyethylamino)hexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 69029491
(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
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate (CID 141411386) is propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate is CC(C)CC(NC(=O)OC(C)C)C(=O)NC(C)COc1ccccc1.
What is the InChIKey of propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate?
The InChIKey is QZPPONYPCTXGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13(2)11-17(21-19(23)25-14(3)4)18(22)20-15(5)12-24-16-9-7-6-8-10-16/h6-10,13-15,17H,11-12H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate?
propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate has a molecular weight of 350.46 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-methyl-1-oxo-1-(1-phenoxypropan-2-ylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 141411386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).