2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide

C20H33N3O3 — CID 123925379

IUPAC2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)C(Cc1ccc(OC(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C20H33N3O3/c1-7-13(2)17(21)19(25)23(6)16(18(22)24)12-14-8-10-15(11-9-14)26-20(3,4)5/h8-11,13,16-17H,7,12,21H2,1-6H3,(H2,22,24)
InChIKeyMIUJRHJEECYEIS-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.09
Rot. Bonds8

About 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide

2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide (PubChem CID 123925379) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide
PubChem CID123925379
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)C(Cc1ccc(OC(C)(C)C)cc1)C(N)=O
InChIInChI=1S/C20H33N3O3/c1-7-13(2)17(21)19(25)23(6)16(18(22)24)12-14-8-10-15(11-9-14)26-20(3,4)5/h8-11,13,16-17H,7,12,21H2,1-6H3,(H2,22,24)
InChIKeyMIUJRHJEECYEIS-UHFFFAOYSA-N
XLogP2.09
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-benzylcarbamic acid
CID 66968639
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
tert-butyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 127261982
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-ol
CID 15136722
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
[2-(aminomethyl)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl] 2-(aminomethyl)-3-(4-methoxyphenyl)propanoate
CID 87701527
(2S)-2-azido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 66519979
tert-butyl N-[(2S)-1-[[(2R)-1-amino-1-oxopropan-2-yl]-[(2R)-4-phenylbutan-2-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate
CID 54114918

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide?
The IUPAC name of 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide (CID 123925379) is 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide?
The canonical SMILES for 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide is CCC(C)C(N)C(=O)N(C)C(Cc1ccc(OC(C)(C)C)cc1)C(N)=O.
What is the InChIKey of 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide?
The InChIKey is MIUJRHJEECYEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-7-13(2)17(21)19(25)23(6)16(18(22)24)12-14-8-10-15(11-9-14)26-20(3,4)5/h8-11,13,16-17H,7,12,21H2,1-6H3,(H2,22,24).
What are the key properties of 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide?
2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide has a molecular weight of 363.50 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]-N,3-dimethylpentanamide is sourced from PubChem (CID 123925379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).