2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride

C15H25ClN4O3 — CID 119332475

IUPAC2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-3-5-12(16)15(20)18-9-4-8-17-13-7-6-11(2)10-14(13)19(21)22;/h6-7,10,12,17H,3-5,8-9,16H2,1-2H3,(H,18,20);1H
InChIKeyRNFNVEKIEPVGTG-UHFFFAOYSA-N
MW344.84 g/mol
LogP2.37
Rot. Bonds9

About 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride

2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride (PubChem CID 119332475) has the molecular formula C15H25ClN4O3 and a molecular weight of 344.84 g/mol. Its IUPAC name is 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride
PubChem CID119332475
Molecular FormulaC15H25ClN4O3
Molecular Weight344.84 g/mol
Exact Mass344.16
IUPAC Name2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-3-5-12(16)15(20)18-9-4-8-17-13-7-6-11(2)10-14(13)19(21)22;/h6-7,10,12,17H,3-5,8-9,16H2,1-2H3,(H,18,20);1H
InChIKeyRNFNVEKIEPVGTG-UHFFFAOYSA-N
XLogP2.37
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride
CID 119799103
2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]-2-phenylacetamide;hydrochloride
CID 119332473
N'-(4-methyl-2-nitrophenyl)butane-1,4-diamine
CID 60893804
3-amino-N-[3-(4-methyl-2-nitroanilino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119799063
2-methyl-3-[methyl-[3-(4-methyl-2-nitroanilino)propylcarbamoyl]amino]propanoic acid
CID 122003243
ethyl 3-(4-methyl-2-nitroanilino)propanoate
CID 22405287
2-(4-methyl-2-nitroanilino)ethanol
CID 158468910
2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
CID 65225301
N-[3-(4-methyl-2-nitroanilino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119332467
(2S,4S)-2-methyl-N-[3-(4-methyl-2-nitroanilino)propyl]piperidine-4-carboxamide;hydrochloride
CID 120635257
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
4-methyl-2-nitro-N-(3-propan-2-yloxypropyl)aniline
CID 133382011

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride (CID 119332475) is 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-].Cl.
What is the InChIKey of 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride?
The InChIKey is RNFNVEKIEPVGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.ClH/c1-3-5-12(16)15(20)18-9-4-8-17-13-7-6-11(2)10-14(13)19(21)22;/h6-7,10,12,17H,3-5,8-9,16H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride?
2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4-methyl-2-nitroanilino)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119332475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).