1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide

C20H25N5O — CID 60566120

IUPAC1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCCCN(C)c3ccccc3)ccc21
InChIInChI=1S/C20H25N5O/c1-3-25-19-12-11-16(15-18(19)22-23-25)20(26)21-13-7-8-14-24(2)17-9-5-4-6-10-17/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,21,26)
InChIKeyKIYADHBSJPIPAA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.10
Rot. Bonds8

About 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide

1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide (PubChem CID 60566120) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide
PubChem CID60566120
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCCCN(C)c3ccccc3)ccc21
InChIInChI=1S/C20H25N5O/c1-3-25-19-12-11-16(15-18(19)22-23-25)20(26)21-13-7-8-14-24(2)17-9-5-4-6-10-17/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,21,26)
InChIKeyKIYADHBSJPIPAA-UHFFFAOYSA-N
XLogP3.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
1-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzotriazole-5-carboxamide
CID 60552393
1-ethyl-3-methyl-N-[3-(N-methylanilino)propyl]-2-oxoquinoxaline-6-carboxamide
CID 37315842
1-ethyl-N-[3-(2-methylpropoxy)propyl]benzotriazole-5-carboxamide
CID 51297094
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 39982088
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
2-ethyl-N-[3-(N-methylanilino)propyl]pyrazole-3-carboxamide
CID 77084137
2-ethoxy-N-[4-(N-methylanilino)butyl]pyridine-4-carboxamide
CID 86968104
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
1-ethyl-N-[2-(2-nitroanilino)ethyl]benzotriazole-5-carboxamide
CID 9278775

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide (CID 60566120) is 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCCCCN(C)c3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide?
The InChIKey is KIYADHBSJPIPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-3-25-19-12-11-16(15-18(19)22-23-25)20(26)21-13-7-8-14-24(2)17-9-5-4-6-10-17/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,21,26).
What are the key properties of 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide?
1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-(N-methylanilino)butyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 60566120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).