(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide

C18H21N3O3 — CID 8771908

IUPAC(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
SMILESCNC(=O)CN[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(20-12-17(22)19-2)18(23)21-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3,(H,19,22)(H,21,23)/t13-/m1/s1
InChIKeyKBCWAIJFKAQKCG-CYBMUJFWSA-N
MW327.38 g/mol
LogP2.14
Rot. Bonds7

About (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide

(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide (PubChem CID 8771908) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
PubChem CID8771908
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
SMILESCNC(=O)CN[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(20-12-17(22)19-2)18(23)21-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3,(H,19,22)(H,21,23)/t13-/m1/s1
InChIKeyKBCWAIJFKAQKCG-CYBMUJFWSA-N
XLogP2.14
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8771858
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
(2R)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731528
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236
(2S)-2-(2-anilino-2-oxoethyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 7731527
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
(2R)-N-(4-phenoxyphenyl)-2-phenylsulfanylpropanamide
CID 875522
N-methyl-2-(4-phenoxyphenyl)acetamide
CID 20806825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide (CID 8771908) is (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide is CNC(=O)CN[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is KBCWAIJFKAQKCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(20-12-17(22)19-2)18(23)21-14-8-10-16(11-9-14)24-15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3,(H,19,22)(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide?
(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 327.38 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 8771908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).