2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene

C20H27N3O3 — CID 143923908

IUPAC2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene
SMILESCOc1ccc(CC(N)C(=O)NCC(N)=O)cc1.Cc1ccccc1C
InChIInChI=1S/C12H17N3O3.C8H10/c1-18-9-4-2-8(3-5-9)6-10(13)12(17)15-7-11(14)16;1-7-5-3-4-6-8(7)2/h2-5,10H,6-7,13H2,1H3,(H2,14,16)(H,15,17);3-6H,1-2H3
InChIKeyJFWZSMUSMWPMTP-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.47
Rot. Bonds6

About 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene

2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene (PubChem CID 143923908) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene
PubChem CID143923908
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene
SMILESCOc1ccc(CC(N)C(=O)NCC(N)=O)cc1.Cc1ccccc1C
InChIInChI=1S/C12H17N3O3.C8H10/c1-18-9-4-2-8(3-5-9)6-10(13)12(17)15-7-11(14)16;1-7-5-3-4-6-8(7)2/h2-5,10H,6-7,13H2,1H3,(H2,14,16)(H,15,17);3-6H,1-2H3
InChIKeyJFWZSMUSMWPMTP-UHFFFAOYSA-N
XLogP1.47
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[2-(4-methoxyphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119290472
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(2R)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;methane
CID 160621097
(2S)-2-amino-N-[2-(3-methoxyphenoxy)propyl]-3-phenylpropanamide
CID 119335528
ethyl 2-[[(2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]acetate;hydrochloride
CID 131714055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene (CID 143923908) is 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene is COc1ccc(CC(N)C(=O)NCC(N)=O)cc1.Cc1ccccc1C.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene?
The InChIKey is JFWZSMUSMWPMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.C8H10/c1-18-9-4-2-8(3-5-9)6-10(13)12(17)15-7-11(14)16;1-7-5-3-4-6-8(7)2/h2-5,10H,6-7,13H2,1H3,(H2,14,16)(H,15,17);3-6H,1-2H3.
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene?
2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene has a molecular weight of 357.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-3-(4-methoxyphenyl)propanamide;1,2-xylene is sourced from PubChem (CID 143923908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).