3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide

C14H21N3O4 — CID 75405381

IUPAC3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCCN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H21N3O4/c1-3-16(8-9-18)7-6-14(19)15-13-10-12(17(20)21)5-4-11(13)2/h4-5,10,18H,3,6-9H2,1-2H3,(H,15,19)
InChIKeyRTIAAYSQKVCRIQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds8

About 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide

3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide (PubChem CID 75405381) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
PubChem CID75405381
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
SMILESCCN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C14H21N3O4/c1-3-16(8-9-18)7-6-14(19)15-13-10-12(17(20)21)5-4-11(13)2/h4-5,10,18H,3,6-9H2,1-2H3,(H,15,19)
InChIKeyRTIAAYSQKVCRIQ-UHFFFAOYSA-N
XLogP1.55
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 111423401
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 110906774
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 86917891
1-ethyl-1-methyl-3-(2-methyl-5-nitrophenyl)urea
CID 113229838
3-[ethyl(furan-2-ylmethyl)amino]-N-(2-methyl-4-nitrophenyl)propanamide
CID 47078033
N-(2-methyl-5-nitrophenyl)-2-(prop-2-enylamino)acetamide
CID 71627698
1-ethyl-3-(2-methyl-5-nitrophenyl)urea
CID 103600891
N-(2-methyl-5-nitrophenyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 30804051
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8712213

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide?
The IUPAC name of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide (CID 75405381) is 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide?
The canonical SMILES for 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide is CCN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide?
The InChIKey is RTIAAYSQKVCRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-16(8-9-18)7-6-14(19)15-13-10-12(17(20)21)5-4-11(13)2/h4-5,10,18H,3,6-9H2,1-2H3,(H,15,19).
What are the key properties of 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide?
3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-hydroxyethyl)amino]-N-(2-methyl-5-nitrophenyl)propanamide is sourced from PubChem (CID 75405381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).