4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide

C17H26N4O3 — CID 133491719

IUPAC4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCC2(CN(C)C)CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H26N4O3/c1-18-16(22)13-6-7-14(15(10-13)21(23)24)19-11-17(12-20(2)3)8-4-5-9-17/h6-7,10,19H,4-5,8-9,11-12H2,1-3H3,(H,18,22)
InChIKeyZCMIEGCLZSTFGQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.49
Rot. Bonds7

About 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide

4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide (PubChem CID 133491719) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide
PubChem CID133491719
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide
SMILESCNC(=O)c1ccc(NCC2(CN(C)C)CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H26N4O3/c1-18-16(22)13-6-7-14(15(10-13)21(23)24)19-11-17(12-20(2)3)8-4-5-9-17/h6-7,10,19H,4-5,8-9,11-12H2,1-3H3,(H,18,22)
InChIKeyZCMIEGCLZSTFGQ-UHFFFAOYSA-N
XLogP2.49
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.49
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

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
CID 133491716
[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol
CID 133491614
4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
4-[2-[ethyl(methyl)amino]ethylamino]-N-methyl-3-nitrobenzamide
CID 47446312
1-[4-[(1-ethylcyclopropyl)methylamino]-3-nitrophenyl]ethanone
CID 133338387
4-[(1-aminocyclobutyl)methylamino]-N,N-dimethyl-3-nitrobenzamide
CID 103354037
4-[(1-hydroxycyclobutyl)methylamino]-3-nitro-N-propan-2-ylbenzamide
CID 133329803
4-(2,3-dimethylbutylamino)-N-methyl-3-nitrobenzamide
CID 78998693
N-methyl-4-(3-methylbutylamino)-3-nitrobenzamide
CID 47370288
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-N-methyl-3-nitrobenzamide
CID 133385585
N-methyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 83000114
N-methyl-4-(2-methylsulfanylpropylamino)-3-nitrobenzamide
CID 115756077

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide?
The IUPAC name of 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide (CID 133491719) is 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide?
The canonical SMILES for 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide is CNC(=O)c1ccc(NCC2(CN(C)C)CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide?
The InChIKey is ZCMIEGCLZSTFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-18-16(22)13-6-7-14(15(10-13)21(23)24)19-11-17(12-20(2)3)8-4-5-9-17/h6-7,10,19H,4-5,8-9,11-12H2,1-3H3,(H,18,22).
What are the key properties of 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide?
4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 133491719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).