[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium

C21H26N3O4+ — CID 2096080

IUPAC[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25N3O4/c1-13-5-10-19(28-4)18(11-13)24-20(26)12-22-14(2)21(27)23-17-8-6-16(7-9-17)15(3)25/h5-11,14,22H,12H2,1-4H3,(H,23,27)(H,24,26)/p+1/t14-/m0/s1
InChIKeyFFFKADLMQSJNHU-AWEZNQCLSA-O
MW384.46 g/mol
LogP1.74
Rot. Bonds8

About [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium (PubChem CID 2096080) has the molecular formula C21H26N3O4+ and a molecular weight of 384.46 g/mol. Its IUPAC name is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
PubChem CID2096080
Molecular FormulaC21H26N3O4+
Molecular Weight384.46 g/mol
Exact Mass384.19
IUPAC Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
SMILESCOc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C21H25N3O4/c1-13-5-10-19(28-4)18(11-13)24-20(26)12-22-14(2)21(27)23-17-8-6-16(7-9-17)15(3)25/h5-11,14,22H,12H2,1-4H3,(H,23,27)(H,24,26)/p+1/t14-/m0/s1
InChIKeyFFFKADLMQSJNHU-AWEZNQCLSA-O
XLogP1.74
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-(2-methoxy-5-methylanilino)acetamide
CID 26437961
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
[(1S)-1-(furan-2-yl)ethyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium
CID 8917988
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]acetamide
CID 8779947
N-(2-methoxy-5-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 37471423
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875904
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium (CID 2096080) is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium is COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
The InChIKey is FFFKADLMQSJNHU-AWEZNQCLSA-O. The full InChI is InChI=1S/C21H25N3O4/c1-13-5-10-19(28-4)18(11-13)24-20(26)12-22-14(2)21(27)23-17-8-6-16(7-9-17)15(3)25/h5-11,14,22H,12H2,1-4H3,(H,23,27)(H,24,26)/p+1/t14-/m0/s1.
What are the key properties of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium?
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium has a molecular weight of 384.46 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 2096080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).