3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide

C15H21N3O5 — CID 60510599

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C1CC1
InChIInChI=1S/C15H21N3O5/c1-23-14-5-4-12(18(21)22)10-13(14)16-15(20)6-7-17(8-9-19)11-2-3-11/h4-5,10-11,19H,2-3,6-9H2,1H3,(H,16,20)
InChIKeyOIFQOUBBMZUSMJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.39
Rot. Bonds9

About 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide

3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 60510599) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID60510599
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C1CC1
InChIInChI=1S/C15H21N3O5/c1-23-14-5-4-12(18(21)22)10-13(14)16-15(20)6-7-17(8-9-19)11-2-3-11/h4-5,10-11,19H,2-3,6-9H2,1H3,(H,16,20)
InChIKeyOIFQOUBBMZUSMJ-UHFFFAOYSA-N
XLogP1.39
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
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

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60510266
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 84568615
3-[benzyl(methyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 4285905
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60775079
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
7-amino-N-(2-methoxy-5-nitrophenyl)heptanamide
CID 43426912
3-[(3-fluorophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 33478730
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
benzyl-(2-hydroxyethyl)-[3-(2-methoxy-5-nitroanilino)-3-oxopropyl]azanium
CID 2168234
3-(4-ethylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 5159522
3-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 146143616
N-(2-methoxy-5-nitrophenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181026

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide (CID 60510599) is 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is OIFQOUBBMZUSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-23-14-5-4-12(18(21)22)10-13(14)16-15(20)6-7-17(8-9-19)11-2-3-11/h4-5,10-11,19H,2-3,6-9H2,1H3,(H,16,20).
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide?
3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 323.35 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 60510599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).