2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide

C14H19N3O5 — CID 60510266

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCO)C1CC1
InChIInChI=1S/C14H19N3O5/c1-22-13-8-11(17(20)21)4-5-12(13)15-14(19)9-16(6-7-18)10-2-3-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,15,19)
InChIKeyJJWHCMXSWDCRDU-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.00
Rot. Bonds8

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 60510266) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID60510266
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCO)C1CC1
InChIInChI=1S/C14H19N3O5/c1-22-13-8-11(17(20)21)4-5-12(13)15-14(19)9-16(6-7-18)10-2-3-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,15,19)
InChIKeyJJWHCMXSWDCRDU-UHFFFAOYSA-N
XLogP1.00
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.00
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'}

Analyze 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 60510599
2-[cyclopropyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 37380628
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 60775079
2-(azepan-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8025227
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
3-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 146143616
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 55534143
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029592
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7966759

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide (CID 60510266) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is JJWHCMXSWDCRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-22-13-8-11(17(20)21)4-5-12(13)15-14(19)9-16(6-7-18)10-2-3-10/h4-5,8,10,18H,2-3,6-7,9H2,1H3,(H,15,19).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 60510266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).