(2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide

C24H30N6O3 — CID 1153699

IUPAC(2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
SMILESCC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C24H30N6O3/c1-3-20(24(32)25-19-11-7-8-12-19)29(15-18-9-5-4-6-10-18)22(31)16-30-27-23(26-28-30)21-14-13-17(2)33-21/h4-6,9-10,13-14,19-20H,3,7-8,11-12,15-16H2,1-2H3,(H,25,32)/t20-/m1/s1
InChIKeyBEAUWMPCSYSCLL-HXUWFJFHSA-N
MW450.54 g/mol
LogP3.11
Rot. Bonds9

About (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide

(2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide (PubChem CID 1153699) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
PubChem CID1153699
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name(2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
SMILESCC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1
InChIInChI=1S/C24H30N6O3/c1-3-20(24(32)25-19-11-7-8-12-19)29(15-18-9-5-4-6-10-18)22(31)16-30-27-23(26-28-30)21-14-13-17(2)33-21/h4-6,9-10,13-14,19-20H,3,7-8,11-12,15-16H2,1-2H3,(H,25,32)/t20-/m1/s1
InChIKeyBEAUWMPCSYSCLL-HXUWFJFHSA-N
XLogP3.11
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 3179899
(2R)-N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 1153707
N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 23733058
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 3179915
(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(5-methylfuran-2-yl)acetamide
CID 25448533
(2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 1153719
(2S)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-pyridin-4-ylacetamide
CID 40624528
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]butanamide
CID 3600221
2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide
CID 3179898
(2S)-N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-4-methylpentanamide
CID 25446537
(2R)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(5-methylfuran-2-yl)acetamide
CID 25448535
N-cyclopentyl-2-(5-methylfuran-2-yl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3180366

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The IUPAC name of (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide (CID 1153699) is (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide.
What is the SMILES notation for (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The canonical SMILES for (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide is CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)o2)n1.
What is the InChIKey of (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
The InChIKey is BEAUWMPCSYSCLL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-3-20(24(32)25-19-11-7-8-12-19)29(15-18-9-5-4-6-10-18)22(31)16-30-27-23(26-28-30)21-14-13-17(2)33-21/h4-6,9-10,13-14,19-20H,3,7-8,11-12,15-16H2,1-2H3,(H,25,32)/t20-/m1/s1.
What are the key properties of (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide?
(2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide has a molecular weight of 450.54 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylbutanamide is sourced from PubChem (CID 1153699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).