N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide

C14H20N6O — CID 120651901

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN[C@H](C)CNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N6O/c1-3-15-11(2)9-16-13(21)10-20-18-14(17-19-20)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,21)/t11-/m1/s1
InChIKeyHHGNXOAVZBWHAK-LLVKDONJSA-N
MW288.35 g/mol
LogP0.45
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 120651901) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID120651901
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCCN[C@H](C)CNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N6O/c1-3-15-11(2)9-16-13(21)10-20-18-14(17-19-20)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,21)/t11-/m1/s1
InChIKeyHHGNXOAVZBWHAK-LLVKDONJSA-N
XLogP0.45
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 7465882
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8524115
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropyl)acetamide
CID 30823164
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 120651901) is N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide is CCN[C@H](C)CNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is HHGNXOAVZBWHAK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-15-11(2)9-16-13(21)10-20-18-14(17-19-20)12-7-5-4-6-8-12/h4-8,11,15H,3,9-10H2,1-2H3,(H,16,21)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 120651901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).