N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide

C20H23N7O2 — CID 60614990

IUPACN-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide
SMILESCCNC(=O)NC(=O)CNc1ccc(CCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N7O2/c1-2-21-20(29)23-18(28)14-22-17-10-8-15(9-11-17)12-13-27-25-19(24-26-27)16-6-4-3-5-7-16/h3-11,22H,2,12-14H2,1H3,(H2,21,23,28,29)
InChIKeyRMHUCXKXFXQZNK-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.84
Rot. Bonds8

About N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide

N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide (PubChem CID 60614990) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide
PubChem CID60614990
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide
SMILESCCNC(=O)NC(=O)CNc1ccc(CCn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H23N7O2/c1-2-21-20(29)23-18(28)14-22-17-10-8-15(9-11-17)12-13-27-25-19(24-26-27)16-6-4-3-5-7-16/h3-11,22H,2,12-14H2,1H3,(H2,21,23,28,29)
InChIKeyRMHUCXKXFXQZNK-UHFFFAOYSA-N
XLogP1.84
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
CID 119764922
2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
CID 119764919
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclopentane-1-carboxamide
CID 119312718
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
CID 119312724
2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride
CID 120988311
N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
CID 167832296
N-(ethylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634827
N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
CID 119312708
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
CID 62563128
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide (CID 60614990) is N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide is CCNC(=O)NC(=O)CNc1ccc(CCn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide?
The InChIKey is RMHUCXKXFXQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-2-21-20(29)23-18(28)14-22-17-10-8-15(9-11-17)12-13-27-25-19(24-26-27)16-6-4-3-5-7-16/h3-11,22H,2,12-14H2,1H3,(H2,21,23,28,29).
What are the key properties of N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide?
N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.84, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide is sourced from PubChem (CID 60614990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).