N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

C20H28N6O — CID 133138790

IUPACN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CC[C@@H]1NC1CCCCCC1
InChIInChI=1S/C20H28N6O/c27-20(13-15-7-9-17(10-8-15)26-14-21-24-25-26)23-19-12-11-18(19)22-16-5-3-1-2-4-6-16/h7-10,14,16,18-19,22H,1-6,11-13H2,(H,23,27)/t18-,19+/m0/s1
InChIKeyCORQKYKQXOXHIO-RBUKOAKNSA-N
MW368.49 g/mol
LogP2.16
Rot. Bonds6

About N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 133138790) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID133138790
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CC[C@@H]1NC1CCCCCC1
InChIInChI=1S/C20H28N6O/c27-20(13-15-7-9-17(10-8-15)26-14-21-24-25-26)23-19-12-11-18(19)22-16-5-3-1-2-4-6-16/h7-10,14,16,18-19,22H,1-6,11-13H2,(H,23,27)/t18-,19+/m0/s1
InChIKeyCORQKYKQXOXHIO-RBUKOAKNSA-N
XLogP2.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289
N-cyclohexyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 2090380
N-(2-amino-1-cyclohexylethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119591477
N-(3-methylpiperidin-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 120555808
N-carbamoyl-4-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 167935083
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 95139320
N-[(2S)-oxan-2-yl]oxy-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 94821745
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91830426
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 96525299
2-[1-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]cyclobutyl]acetic acid
CID 119218102
N-cyclopentyl-N-phenyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75462753
N-cycloheptyl-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 46633897

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 133138790) is N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is O=C(Cc1ccc(-n2cnnn2)cc1)N[C@@H]1CC[C@@H]1NC1CCCCCC1.
What is the InChIKey of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is CORQKYKQXOXHIO-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H28N6O/c27-20(13-15-7-9-17(10-8-15)26-14-21-24-25-26)23-19-12-11-18(19)22-16-5-3-1-2-4-6-16/h7-10,14,16,18-19,22H,1-6,11-13H2,(H,23,27)/t18-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 133138790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).