N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide

C16H22N6O2 — CID 95295934

IUPACN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H22N6O2/c1-3-17-16(24)12(2)18-14(23)10-7-11-22-20-15(19-21-22)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,24)(H,18,23)/t12-/m1/s1
InChIKeyQJCXIZQEADTYET-GFCCVEGCSA-N
MW330.39 g/mol
LogP0.76
Rot. Bonds8

About N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 95295934) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
PubChem CID95295934
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H22N6O2/c1-3-17-16(24)12(2)18-14(23)10-7-11-22-20-15(19-21-22)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,24)(H,18,23)/t12-/m1/s1
InChIKeyQJCXIZQEADTYET-GFCCVEGCSA-N
XLogP0.76
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 47085930
N-ethyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 71944277
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 111484159
(2S)-2-[[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]amino]-N-ethylpropanamide
CID 8598093
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 9470610
2-cyano-N-methyl-3-oxo-6-(5-phenyltetrazol-2-yl)hexanamide
CID 56800660
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612
4-bromo-N'-[4-(5-phenyltetrazol-2-yl)butanoyl]benzohydrazide
CID 86874442
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
CID 177376609
3-(5-phenyltetrazol-2-yl)propyl 4-methylpentanoate
CID 86902685

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide (CID 95295934) is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide is CCNC(=O)[C@@H](C)NC(=O)CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is QJCXIZQEADTYET-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-3-17-16(24)12(2)18-14(23)10-7-11-22-20-15(19-21-22)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,24)(H,18,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide?
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 330.39 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 95295934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).