(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide

C14H20N4O3 — CID 8771858

IUPAC(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-9(16-8-13(20)15-3)14(21)18-12-6-4-11(5-7-12)17-10(2)19/h4-7,9,16H,8H2,1-3H3,(H,15,20)(H,17,19)(H,18,21)/t9-/m0/s1
InChIKeyUZTKRNQMVRMMRO-VIFPVBQESA-N
MW292.34 g/mol
LogP0.31
Rot. Bonds6

About (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide

(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide (PubChem CID 8771858) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
PubChem CID8771858
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-9(16-8-13(20)15-3)14(21)18-12-6-4-11(5-7-12)17-10(2)19/h4-7,9,16H,8H2,1-3H3,(H,15,20)(H,17,19)(H,18,21)/t9-/m0/s1
InChIKeyUZTKRNQMVRMMRO-VIFPVBQESA-N
XLogP0.31
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
CID 8771908
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445
N-(4-methylphenyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 115598404
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
N-[4-[(4-acetamidophenyl)methyl]phenyl]-2-methylpropanamide
CID 130256848
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
2-methyl-N-[4-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanamide
CID 54818036
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]propanamide
CID 61489451
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 115574236

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide (CID 8771858) is (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide is CNC(=O)CN[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is UZTKRNQMVRMMRO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(16-8-13(20)15-3)14(21)18-12-6-4-11(5-7-12)17-10(2)19/h4-7,9,16H,8H2,1-3H3,(H,15,20)(H,17,19)(H,18,21)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide?
(2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 292.34 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamidophenyl)-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 8771858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).