N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide

C21H25N7O2 — CID 55544975

IUPACN,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C21H25N7O2/c1-4-28(5-2)21(30)15-9-11-17(12-10-15)23-19(29)14-22-18-8-6-7-16(13-18)20-24-25-26-27(20)3/h6-13,22H,4-5,14H2,1-3H3,(H,23,29)
InChIKeyKBVVMIMRJJGFSQ-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.41
Rot. Bonds8

About N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide

N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide (PubChem CID 55544975) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
PubChem CID55544975
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C21H25N7O2/c1-4-28(5-2)21(30)15-9-11-17(12-10-15)23-19(29)14-22-18-8-6-7-16(13-18)20-24-25-26-27(20)3/h6-13,22H,4-5,14H2,1-3H3,(H,23,29)
InChIKeyKBVVMIMRJJGFSQ-UHFFFAOYSA-N
XLogP2.41
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(1-methyltetrazol-5-yl)anilino]-N-(4-phenoxyphenyl)acetamide
CID 55544703
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 55601078
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-(3-chloro-4-methoxyphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977030
2-[3-(1-methyltetrazol-5-yl)anilino]-N-naphthalen-1-ylacetamide
CID 46600516
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-[4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840317
N-(2-benzylphenyl)-2-[3-(1-methyltetrazol-5-yl)anilino]acetamide
CID 32977130
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843436
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 30706648

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide (CID 55544975) is N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide?
The InChIKey is KBVVMIMRJJGFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-4-28(5-2)21(30)15-9-11-17(12-10-15)23-19(29)14-22-18-8-6-7-16(13-18)20-24-25-26-27(20)3/h6-13,22H,4-5,14H2,1-3H3,(H,23,29).
What are the key properties of N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide?
N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide has a molecular weight of 407.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[3-(1-methyltetrazol-5-yl)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 55544975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).