N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide

C23H29N5O6 — CID 55351428

IUPACN-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N5O6/c1-16(23(30)25-20-14-19(28(31)32)8-9-21(20)33-3)26(2)15-22(29)24-17-4-6-18(7-5-17)27-10-12-34-13-11-27/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyZFYUJTRWMUSWMZ-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.34
Rot. Bonds9

About N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide

N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 55351428) has the molecular formula C23H29N5O6 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
PubChem CID55351428
Molecular FormulaC23H29N5O6
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H29N5O6/c1-16(23(30)25-20-14-19(28(31)32)8-9-21(20)33-3)26(2)15-22(29)24-17-4-6-18(7-5-17)27-10-12-34-13-11-27/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyZFYUJTRWMUSWMZ-UHFFFAOYSA-N
XLogP2.34
TPSA126.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4967366
N-(2-cyanophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351675
2-[methyl-[2-(4-nitroanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354340
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
(2R)-N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 52512652
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
3-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119911801
(2R)-2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 9295189
(2S)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(4-morpholin-4-ylphenyl)butanamide
CID 100523891
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 4820765

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide (CID 55351428) is N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is ZFYUJTRWMUSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O6/c1-16(23(30)25-20-14-19(28(31)32)8-9-21(20)33-3)26(2)15-22(29)24-17-4-6-18(7-5-17)27-10-12-34-13-11-27/h4-9,14,16H,10-13,15H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide?
N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 471.51 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 55351428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).