4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide

C19H23N3O4 — CID 55991857

IUPAC4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)C)o1
InChIInChI=1S/C19H23N3O4/c1-12(2)21(11-16-8-4-13(3)26-16)19(23)14-5-9-17(20-15-6-7-15)18(10-14)22(24)25/h4-5,8-10,12,15,20H,6-7,11H2,1-3H3
InChIKeyLROMZMTUPPBTQA-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.12
Rot. Bonds7

About 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide

4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide (PubChem CID 55991857) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide
PubChem CID55991857
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)C)o1
InChIInChI=1S/C19H23N3O4/c1-12(2)21(11-16-8-4-13(3)26-16)19(23)14-5-9-17(20-15-6-7-15)18(10-14)22(24)25/h4-5,8-10,12,15,20H,6-7,11H2,1-3H3
InChIKeyLROMZMTUPPBTQA-UHFFFAOYSA-N
XLogP4.12
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
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

4-(cyclopropylamino)-N-(furan-2-ylmethyl)-N-methyl-3-nitrobenzamide
CID 27739515
5-[[[4-(cyclopropylamino)-3-nitrobenzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222647
4-(cyclopropylamino)-N-methyl-N-[(2-methylphenyl)methyl]-3-nitrobenzamide
CID 9368521
4-(cyclopropylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9227101
4-(cyclopropylamino)-N-ethyl-N-(2-hydroxyethyl)-3-nitrobenzamide
CID 78855043
4-(cyclopropylamino)-N-(3-hydroxybutyl)-3-nitrobenzamide
CID 111433560
4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047047
N-[(4-chlorophenyl)methyl]-4-(cyclopropylamino)-N-methyl-3-nitrobenzamide
CID 26594047
N-(3-amino-2-methylpropyl)-4-(cyclopropylamino)-3-nitrobenzamide
CID 119995566
4-(cyclopropylamino)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-nitrobenzamide
CID 26994620
(2R)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-methylbutanoic acid
CID 119368655
4-(cyclopropylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9225803

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide (CID 55991857) is 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide is Cc1ccc(CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C(C)C)o1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide?
The InChIKey is LROMZMTUPPBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12(2)21(11-16-8-4-13(3)26-16)19(23)14-5-9-17(20-15-6-7-15)18(10-14)22(24)25/h4-5,8-10,12,15,20H,6-7,11H2,1-3H3.
What are the key properties of 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide?
4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(5-methylfuran-2-yl)methyl]-3-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 55991857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).