N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide

C15H19N3O5 — CID 60558279

IUPACN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C15H19N3O5/c1-11-4-5-12(22-11)10-17(9-8-16(2)3)15(19)13-6-7-14(23-13)18(20)21/h4-7H,8-10H2,1-3H3
InChIKeyNBRXBMJUNRHSHA-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.29
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide (PubChem CID 60558279) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide
PubChem CID60558279
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide
SMILESCc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])o2)o1
InChIInChI=1S/C15H19N3O5/c1-11-4-5-12(22-11)10-17(9-8-16(2)3)15(19)13-6-7-14(23-13)18(20)21/h4-7H,8-10H2,1-3H3
InChIKeyNBRXBMJUNRHSHA-UHFFFAOYSA-N
XLogP2.29
TPSA92.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
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

N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 64593210
2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 54873875
3-[ethyl-(5-nitrofuran-2-carbonyl)amino]propanoic acid
CID 61006997
N-ethyl-N-(3-hydroxypropyl)-5-nitrofuran-2-carboxamide
CID 113339443
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 52726689
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
N-[2-(dimethylamino)ethyl]-5-iodo-N-[(5-methylfuran-2-yl)methyl]thiophene-3-carboxamide
CID 78949596
4-chloro-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63307969
N,N-bis(cyanomethyl)-5-nitrofuran-2-carboxamide
CID 3312705
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 115902264
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 113468312
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 107569062

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide (CID 60558279) is N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide is Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])o2)o1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide?
The InChIKey is NBRXBMJUNRHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-11-4-5-12(22-11)10-17(9-8-16(2)3)15(19)13-6-7-14(23-13)18(20)21/h4-7H,8-10H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 60558279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).