(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide

C19H29N3O4 — CID 52503767

IUPAC(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)NCC1(c2cc(C)ccc2OC)CCOCC1
InChIInChI=1S/C19H29N3O4/c1-13-5-6-16(25-4)15(11-13)19(7-9-26-10-8-19)12-21-14(2)17(23)22-18(24)20-3/h5-6,11,14,21H,7-10,12H2,1-4H3,(H2,20,22,23,24)/t14-/m1/s1
InChIKeyFPVHMXMGDUBJSK-CQSZACIVSA-N
MW363.46 g/mol
LogP1.49
Rot. Bonds6

About (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide

(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 52503767) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID52503767
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)NCC1(c2cc(C)ccc2OC)CCOCC1
InChIInChI=1S/C19H29N3O4/c1-13-5-6-16(25-4)15(11-13)19(7-9-26-10-8-19)12-21-14(2)17(23)22-18(24)20-3/h5-6,11,14,21H,7-10,12H2,1-4H3,(H2,20,22,23,24)/t14-/m1/s1
InChIKeyFPVHMXMGDUBJSK-CQSZACIVSA-N
XLogP1.49
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[4-(2-methoxyphenyl)oxan-4-yl]methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 52510463
2-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 86845463
3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 86783814
2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-methyl-5-nitrobenzamide
CID 86839628
cis-(1R,2S)-2-amino-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124686138
(2R)-2-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]propanamide
CID 119303817
5-ethyl-2-hydroxy-N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]benzamide
CID 56581644
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 133272789
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740061
N-[2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 56581671
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide (CID 52503767) is (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)NCC1(c2cc(C)ccc2OC)CCOCC1.
What is the InChIKey of (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is FPVHMXMGDUBJSK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13-5-6-16(25-4)15(11-13)19(7-9-26-10-8-19)12-21-14(2)17(23)22-18(24)20-3/h5-6,11,14,21H,7-10,12H2,1-4H3,(H2,20,22,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 52503767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).