N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide

C26H25N7O3 — CID 154859144

IUPACN-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C26H25N7O3/c1-3-32(2)26(36)22-11-7-10-21(16-22)25(35)29-28-24(34)20-14-12-18(13-15-20)17-33-30-23(27-31-33)19-8-5-4-6-9-19/h4-16H,3,17H2,1-2H3,(H,28,34)(H,29,35)
InChIKeyAKTWGKWZGBKGBE-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.56
Rot. Bonds7

About N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide

N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide (PubChem CID 154859144) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
PubChem CID154859144
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC NameN-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1
InChIInChI=1S/C26H25N7O3/c1-3-32(2)26(36)22-11-7-10-21(16-22)25(35)29-28-24(34)20-14-12-18(13-15-20)17-33-30-23(27-31-33)19-8-5-4-6-9-19/h4-16H,3,17H2,1-2H3,(H,28,34)(H,29,35)
InChIKeyAKTWGKWZGBKGBE-UHFFFAOYSA-N
XLogP2.56
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
3,4-dimethyl-N-[2-oxo-2-[2-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]hydrazinyl]ethyl]benzamide
CID 24541956
3,5-dimethoxy-4-methyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46652930
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
2-ethylsulfanyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24658106
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
3-(difluoromethoxy)-4-methoxy-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 46491518
2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
CID 24541902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide?
The IUPAC name of N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide (CID 154859144) is N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide?
The canonical SMILES for N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide is CCN(C)C(=O)c1cccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)c1.
What is the InChIKey of N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide?
The InChIKey is AKTWGKWZGBKGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-3-32(2)26(36)22-11-7-10-21(16-22)25(35)29-28-24(34)20-14-12-18(13-15-20)17-33-30-23(27-31-33)19-8-5-4-6-9-19/h4-16H,3,17H2,1-2H3,(H,28,34)(H,29,35).
What are the key properties of N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide?
N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide has a molecular weight of 483.53 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-[[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]carbamoyl]benzamide is sourced from PubChem (CID 154859144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).