N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide

C14H19N3O3 — CID 115981412

IUPACN-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide
SMILESCc1cc(NCCCC(=O)NC2CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-7-12(9-13(8-10)17(19)20)15-6-2-3-14(18)16-11-4-5-11/h7-9,11,15H,2-6H2,1H3,(H,16,18)
InChIKeyYGHNXZLZMXVMSY-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.37
Rot. Bonds7

About N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide

N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide (PubChem CID 115981412) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide
PubChem CID115981412
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide
SMILESCc1cc(NCCCC(=O)NC2CC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O3/c1-10-7-12(9-13(8-10)17(19)20)15-6-2-3-14(18)16-11-4-5-11/h7-9,11,15H,2-6H2,1H3,(H,16,18)
InChIKeyYGHNXZLZMXVMSY-UHFFFAOYSA-N
XLogP2.37
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-cyclopropyl-4-(3-fluoro-5-nitroanilino)butanamide
CID 79401426
N-cyclopropyl-4-(2,6-difluoro-4-nitroanilino)butanamide
CID 86780542
3-methyl-5-nitro-N-(3-propoxypropyl)aniline
CID 112649379
N-hex-5-ynyl-3-methyl-5-nitroaniline
CID 106214476
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
N-cyclopropyl-2-(3-ethoxy-5-nitroanilino)acetamide
CID 80724793
N-cyclopropyl-4-[1-(3-nitrophenyl)ethylamino]butanamide
CID 79139820
3-methyl-5-nitro-N-prop-2-enylaniline
CID 112649174
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
2-methyl-1-(3-methyl-5-nitroanilino)propan-2-ol
CID 112649289
N-(2-ethoxyethyl)-3-methyl-5-nitroaniline
CID 112648993
1-N-(3-methyl-5-nitrophenyl)butane-1,3-diamine
CID 112649454

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide?
The IUPAC name of N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide (CID 115981412) is N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide is Cc1cc(NCCCC(=O)NC2CC2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide?
The InChIKey is YGHNXZLZMXVMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-7-12(9-13(8-10)17(19)20)15-6-2-3-14(18)16-11-4-5-11/h7-9,11,15H,2-6H2,1H3,(H,16,18).
What are the key properties of N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide?
N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide has a molecular weight of 277.32 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide is sourced from PubChem (CID 115981412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).