2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C16H21N7O2 — CID 60562188

IUPAC2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H21N7O2/c1-12-19-20-21-23(12)14-6-4-5-13(9-14)17-10-15(24)18-11-16(25)22-7-2-3-8-22/h4-6,9,17H,2-3,7-8,10-11H2,1H3,(H,18,24)
InChIKeyMLMGIJYULGGMPD-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.12
Rot. Bonds6

About 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 60562188) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID60562188
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)NCC(=O)N2CCCC2)c1
InChIInChI=1S/C16H21N7O2/c1-12-19-20-21-23(12)14-6-4-5-13(9-14)17-10-15(24)18-11-16(25)22-7-2-3-8-22/h4-6,9,17H,2-3,7-8,10-11H2,1H3,(H,18,24)
InChIKeyMLMGIJYULGGMPD-UHFFFAOYSA-N
XLogP0.12
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36913316
1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one
CID 36914526
2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47145291
N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36914785
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36912952
N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 131890339
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
N-[3-(5-methyltetrazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131901993
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 60562188) is 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is Cc1nnnn1-c1cccc(NCC(=O)NCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is MLMGIJYULGGMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-12-19-20-21-23(12)14-6-4-5-13(9-14)17-10-15(24)18-11-16(25)22-7-2-3-8-22/h4-6,9,17H,2-3,7-8,10-11H2,1H3,(H,18,24).
What are the key properties of 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 343.39 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 60562188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).