N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide

C23H26N6O2 — CID 3744341

IUPACN-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1-c1nnn(CC(=O)NC2CCCC2)n1
InChIInChI=1S/C23H26N6O2/c30-21(15-14-17-8-2-1-3-9-17)25-20-13-7-6-12-19(20)23-26-28-29(27-23)16-22(31)24-18-10-4-5-11-18/h1-3,6-9,12-13,18H,4-5,10-11,14-16H2,(H,24,31)(H,25,30)
InChIKeyBOKBMRQEDBNBLG-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide

N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide (PubChem CID 3744341) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
PubChem CID3744341
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccccc1-c1nnn(CC(=O)NC2CCCC2)n1
InChIInChI=1S/C23H26N6O2/c30-21(15-14-17-8-2-1-3-9-17)25-20-13-7-6-12-19(20)23-26-28-29(27-23)16-22(31)24-18-10-4-5-11-18/h1-3,6-9,12-13,18H,4-5,10-11,14-16H2,(H,24,31)(H,25,30)
InChIKeyBOKBMRQEDBNBLG-UHFFFAOYSA-N
XLogP2.97
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
CID 3192797
2-[5-[2-[(4-chlorophenyl)sulfonylamino]phenyl]tetrazol-2-yl]-N-cyclopentylacetamide
CID 3744238
N-cyclopentyl-2-[5-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]tetrazol-2-yl]acetamide
CID 3192836
3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N-cyclopropyl-2-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]benzamide
CID 27995227
N-cyclopentyl-2-[5-(3-methylphenyl)tetrazol-2-yl]acetamide
CID 6458492
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]benzamide
CID 1455558
N-[2-[2-(2-anilino-2-oxoethyl)tetrazol-5-yl]phenyl]furan-2-carboxamide
CID 648033
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7634930
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
2-[5-(2-bromophenyl)tetrazol-2-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7963737

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide (CID 3744341) is N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccccc1-c1nnn(CC(=O)NC2CCCC2)n1.
What is the InChIKey of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
The InChIKey is BOKBMRQEDBNBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-21(15-14-17-8-2-1-3-9-17)25-20-13-7-6-12-19(20)23-26-28-29(27-23)16-22(31)24-18-10-4-5-11-18/h1-3,6-9,12-13,18H,4-5,10-11,14-16H2,(H,24,31)(H,25,30).
What are the key properties of N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide has a molecular weight of 418.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(cyclopentylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 3744341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).