(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide

C14H20N6O — CID 103831156

IUPAC(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C14H20N6O/c1-3-4-8-12(15)14(21)16-11-7-5-6-10(9-11)13-17-18-19-20(13)2/h5-7,9,12H,3-4,8,15H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyPKZALHFZFXCURI-LBPRGKRZSA-N
MW288.36 g/mol
LogP1.33
Rot. Bonds6

About (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide

(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide (PubChem CID 103831156) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
PubChem CID103831156
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1
InChIInChI=1S/C14H20N6O/c1-3-4-8-12(15)14(21)16-11-7-5-6-10(9-11)13-17-18-19-20(13)2/h5-7,9,12H,3-4,8,15H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyPKZALHFZFXCURI-LBPRGKRZSA-N
XLogP1.33
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 60853677
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
2-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 60926904
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
1-[4-(methylamino)butyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CID 69111932
N-[1-[3-(1-methyltetrazol-5-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55497525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide (CID 103831156) is (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1cccc(-c2nnnn2C)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide?
The InChIKey is PKZALHFZFXCURI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-4-8-12(15)14(21)16-11-7-5-6-10(9-11)13-17-18-19-20(13)2/h5-7,9,12H,3-4,8,15H2,1-2H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide?
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide has a molecular weight of 288.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide is sourced from PubChem (CID 103831156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).