N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide

C16H23N5O — CID 125440966

IUPACN-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)CCn1cnnn1
InChIInChI=1S/C16H23N5O/c1-13(11-16(2,3)14-7-5-4-6-8-14)18-15(22)9-10-21-12-17-19-20-21/h4-8,12-13H,9-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeySFSNWFMTGHVYAQ-CYBMUJFWSA-N
MW301.39 g/mol
LogP1.94
Rot. Bonds7

About N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide

N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide (PubChem CID 125440966) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide
PubChem CID125440966
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)CCn1cnnn1
InChIInChI=1S/C16H23N5O/c1-13(11-16(2,3)14-7-5-4-6-8-14)18-15(22)9-10-21-12-17-19-20-21/h4-8,12-13H,9-11H2,1-3H3,(H,18,22)/t13-/m1/s1
InChIKeySFSNWFMTGHVYAQ-CYBMUJFWSA-N
XLogP1.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 51093653
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)propanamide
CID 125431122
N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875407
3-(2,4-dichlorophenyl)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 133225084
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide
CID 94812591
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 99972818
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
CID 5297376
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
CID 52511202

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide (CID 125440966) is N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide is C[C@H](CC(C)(C)c1ccccc1)NC(=O)CCn1cnnn1.
What is the InChIKey of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is SFSNWFMTGHVYAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13(11-16(2,3)14-7-5-4-6-8-14)18-15(22)9-10-21-12-17-19-20-21/h4-8,12-13H,9-11H2,1-3H3,(H,18,22)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide?
N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-4-phenylpentan-2-yl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 125440966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).