N-cyclopropyl-4-(3,4-diaminoanilino)butanamide

C13H20N4O — CID 106750979

IUPACN-cyclopropyl-4-(3,4-diaminoanilino)butanamide
SMILESNc1ccc(NCCCC(=O)NC2CC2)cc1N
InChIInChI=1S/C13H20N4O/c14-11-6-5-10(8-12(11)15)16-7-1-2-13(18)17-9-3-4-9/h5-6,8-9,16H,1-4,7,14-15H2,(H,17,18)
InChIKeyKXAZVWUHWDTROM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds6

About N-cyclopropyl-4-(3,4-diaminoanilino)butanamide

N-cyclopropyl-4-(3,4-diaminoanilino)butanamide (PubChem CID 106750979) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-diaminoanilino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,4-diaminoanilino)butanamide
PubChem CID106750979
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-cyclopropyl-4-(3,4-diaminoanilino)butanamide
SMILESNc1ccc(NCCCC(=O)NC2CC2)cc1N
InChIInChI=1S/C13H20N4O/c14-11-6-5-10(8-12(11)15)16-7-1-2-13(18)17-9-3-4-9/h5-6,8-9,16H,1-4,7,14-15H2,(H,17,18)
InChIKeyKXAZVWUHWDTROM-UHFFFAOYSA-N
XLogP1.32
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
CID 104612970
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
4-(4-amino-2-bromoanilino)-N-cyclopropylbutanamide
CID 79394565
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
4-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopropylbutanamide
CID 79378774
4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide
CID 79394408
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
N-cyclopropyl-4-(3-fluoro-5-nitroanilino)butanamide
CID 79401426
N-cyclopropyl-4-(3-methyl-5-nitroanilino)butanamide
CID 115981412
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107
4-[(3-amino-4-bromophenyl)sulfonylamino]-N-cyclopropylbutanamide
CID 115329624

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-diaminoanilino)butanamide?
The IUPAC name of N-cyclopropyl-4-(3,4-diaminoanilino)butanamide (CID 106750979) is N-cyclopropyl-4-(3,4-diaminoanilino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(3,4-diaminoanilino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(3,4-diaminoanilino)butanamide is Nc1ccc(NCCCC(=O)NC2CC2)cc1N.
What is the InChIKey of N-cyclopropyl-4-(3,4-diaminoanilino)butanamide?
The InChIKey is KXAZVWUHWDTROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-11-6-5-10(8-12(11)15)16-7-1-2-13(18)17-9-3-4-9/h5-6,8-9,16H,1-4,7,14-15H2,(H,17,18).
What are the key properties of N-cyclopropyl-4-(3,4-diaminoanilino)butanamide?
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,4-diaminoanilino)butanamide is sourced from PubChem (CID 106750979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).