N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide

C14H21N3O3 — CID 62166351

IUPACN-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)C
InChIInChI=1S/C14H21N3O3/c1-5-8-15-13-7-6-11(17(19)20)9-12(13)14(18)16(4)10(2)3/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyXFBFDKKRWLXZCS-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds6

About N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide

N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide (PubChem CID 62166351) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
PubChem CID62166351
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide
SMILESCCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)C
InChIInChI=1S/C14H21N3O3/c1-5-8-15-13-7-6-11(17(19)20)9-12(13)14(18)16(4)10(2)3/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyXFBFDKKRWLXZCS-UHFFFAOYSA-N
XLogP2.90
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1-cyclopropylethyl)-2-(ethylamino)-N-methyl-5-nitrobenzamide
CID 62168899
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
N-methyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62166178
2-(ethylamino)-N-methyl-5-nitro-N-pentylbenzamide
CID 62167944
5-nitro-2-(pentylamino)benzoic acid
CID 29269659
2-[2-[ethyl(methyl)amino]ethylamino]-5-nitrobenzoic acid
CID 55097837
N,N-diethyl-5-nitro-2-(propylamino)benzenesulfonamide
CID 60634187
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
5-nitro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762134
2-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-5-nitrobenzamide
CID 62338594
N-ethyl-2-(ethylamino)-5-nitrobenzamide
CID 55042507
5-chloro-N-(1-cyanopropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 63228421

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide?
The IUPAC name of N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide (CID 62166351) is N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide.
What is the SMILES notation for N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide?
The canonical SMILES for N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide is CCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide?
The InChIKey is XFBFDKKRWLXZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-8-15-13-7-6-11(17(19)20)9-12(13)14(18)16(4)10(2)3/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide?
N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-nitro-N-propan-2-yl-2-(propylamino)benzamide is sourced from PubChem (CID 62166351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).