2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide

C22H31FN6O2 — CID 650552

IUPAC2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1
InChIInChI=1S/C22H31FN6O2/c1-15(2)12-13-24-22(31)16(3)29(19-6-4-5-7-19)20(30)14-28-26-21(25-27-28)17-8-10-18(23)11-9-17/h8-11,15-16,19H,4-7,12-14H2,1-3H3,(H,24,31)
InChIKeyLGJLMNDEYHXHSP-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.80
Rot. Bonds9

About 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide

2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide (PubChem CID 650552) has the molecular formula C22H31FN6O2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
PubChem CID650552
Molecular FormulaC22H31FN6O2
Molecular Weight430.53 g/mol
Exact Mass430.25
IUPAC Name2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1
InChIInChI=1S/C22H31FN6O2/c1-15(2)12-13-24-22(31)16(3)29(19-6-4-5-7-19)20(30)14-28-26-21(25-27-28)17-8-10-18(23)11-9-17/h8-11,15-16,19H,4-7,12-14H2,1-3H3,(H,24,31)
InChIKeyLGJLMNDEYHXHSP-UHFFFAOYSA-N
XLogP2.80
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-4-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 40586575
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(3-methylbutyl)acetamide
CID 856760
(2R)-2-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]-[(4-fluorophenyl)methyl]amino]-N-(3-methylbutyl)propanamide
CID 40586380
(2R)-N-cyclopentyl-2-(4-fluoro-N-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]anilino)propanamide
CID 25446251
(2S)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-(4-hydroxyphenyl)-N-(3-methylbutyl)acetamide
CID 40586667
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 25312804
N-(1-benzylpiperidin-4-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 3179372
(2S)-2-[cyclohexyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 1144160
(2S)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 40586539
N-cyclohexyl-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 56604863
(2R)-2-[cyclopentyl-[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144127
2-(N-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-2-fluoroanilino)-N-(3-methylbutyl)propanamide
CID 3179396

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide (CID 650552) is 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide?
The InChIKey is LGJLMNDEYHXHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN6O2/c1-15(2)12-13-24-22(31)16(3)29(19-6-4-5-7-19)20(30)14-28-26-21(25-27-28)17-8-10-18(23)11-9-17/h8-11,15-16,19H,4-7,12-14H2,1-3H3,(H,24,31).
What are the key properties of 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide?
2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide has a molecular weight of 430.53 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 650552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).