2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide

C14H21N3O4 — CID 60695601

IUPAC2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H21N3O4/c1-4-7-15-14(18)10(2)16-9-11-8-12(17(19)20)5-6-13(11)21-3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,15,18)
InChIKeyYQPXRCYRHDWVTH-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.61
Rot. Bonds8

About 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide

2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide (PubChem CID 60695601) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide
PubChem CID60695601
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H21N3O4/c1-4-7-15-14(18)10(2)16-9-11-8-12(17(19)20)5-6-13(11)21-3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,15,18)
InChIKeyYQPXRCYRHDWVTH-UHFFFAOYSA-N
XLogP1.61
TPSA93.50 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 ≤ 51.61
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

(2R)-2-[(2-methoxy-5-nitrophenyl)methylamino]propanoic acid
CID 83194735
2-[(2-methoxy-5-nitrophenyl)methylamino]propanamide
CID 43329475
2-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbutanoic acid
CID 43468781
N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine
CID 43082638
2-[(2-methoxy-5-nitrophenyl)methylamino]-3-methylbutanamide
CID 103913981
N-[(2-methoxy-5-nitrophenyl)methyl]hexan-2-amine
CID 62200224
N-[(2-methoxy-5-nitrophenyl)methyl]acetamide
CID 20650534
N-[1-[1-[(2-methoxy-5-nitrophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797970
(1R)-1-cyclohexyl-N-[(2-methoxy-5-nitrophenyl)methyl]ethanamine
CID 81388796
N-[(5-nitro-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43472747
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
N-[(2-methoxy-5-nitrophenyl)methyl]-6-methylheptan-2-amine
CID 60677362

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide (CID 60695601) is 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide?
The InChIKey is YQPXRCYRHDWVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-7-15-14(18)10(2)16-9-11-8-12(17(19)20)5-6-13(11)21-3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,15,18).
What are the key properties of 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide?
2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide has a molecular weight of 295.34 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-nitrophenyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 60695601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).