3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide

C24H32N4O4 — CID 56542624

IUPAC3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1)C(C)CN1CCOCC1
InChIInChI=1S/C24H32N4O4/c1-19-16-22(28(30)31)8-9-23(19)25-24(29)10-11-27(18-21-6-4-3-5-7-21)20(2)17-26-12-14-32-15-13-26/h3-9,16,20H,10-15,17-18H2,1-2H3,(H,25,29)
InChIKeyIVLFZBWBRALFAG-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.45
Rot. Bonds10

About 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide

3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide (PubChem CID 56542624) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
PubChem CID56542624
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1)C(C)CN1CCOCC1
InChIInChI=1S/C24H32N4O4/c1-19-16-22(28(30)31)8-9-23(19)25-24(29)10-11-27(18-21-6-4-3-5-7-21)20(2)17-26-12-14-32-15-13-26/h3-9,16,20H,10-15,17-18H2,1-2H3,(H,25,29)
InChIKeyIVLFZBWBRALFAG-UHFFFAOYSA-N
XLogP3.45
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide
CID 56570185
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 56542755
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 56570018
3-[4-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 111113845
benzhydryl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate
CID 2940631
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 56542784
3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 38508977
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
3-amino-N-(2-methyl-4-nitrophenyl)propanamide
CID 43424697
methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711560
3-[ethyl(furan-2-ylmethyl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 47078033
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide?
The IUPAC name of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide (CID 56542624) is 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide.
What is the SMILES notation for 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide?
The canonical SMILES for 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(Cc1ccccc1)C(C)CN1CCOCC1.
What is the InChIKey of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide?
The InChIKey is IVLFZBWBRALFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-19-16-22(28(30)31)8-9-23(19)25-24(29)10-11-27(18-21-6-4-3-5-7-21)20(2)17-26-12-14-32-15-13-26/h3-9,16,20H,10-15,17-18H2,1-2H3,(H,25,29).
What are the key properties of 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide?
3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide has a molecular weight of 440.54 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2-methyl-4-nitrophenyl)propanamide is sourced from PubChem (CID 56542624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).