N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide

C24H30N6O3 — CID 645382

IUPACN-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C24H30N6O3/c1-3-21(24(32)25-19-7-4-5-8-19)29(15-20-9-6-14-33-20)22(31)16-30-27-23(26-28-30)18-12-10-17(2)11-13-18/h6,9-14,19,21H,3-5,7-8,15-16H2,1-2H3,(H,25,32)
InChIKeyXFCYQJAIMRBHBE-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.11
Rot. Bonds9

About N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide

N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide (PubChem CID 645382) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide
PubChem CID645382
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C24H30N6O3/c1-3-21(24(32)25-19-7-4-5-8-19)29(15-20-9-6-14-33-20)22(31)16-30-27-23(26-28-30)18-12-10-17(2)11-13-18/h6,9-14,19,21H,3-5,7-8,15-16H2,1-2H3,(H,25,32)
InChIKeyXFCYQJAIMRBHBE-UHFFFAOYSA-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-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
Furan-2-carboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 649082
N-{[(Furan-2-ylmethyl)-carbamoyl]-methyl}-N-phenethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 649663
N-tert-Butyl-2-(4-fluoro-phenyl)-2-[{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-(tetrahydro-furan-2-ylmethyl)-amino]-acetamide
CID 651396
N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]pentanamide
CID 651725
N-(Benzylcarbamoyl-methyl)-N-furan-2-ylmethyl-2-(5-thiophen-2-yl-tetrazol-2-yl)-acetamide
CID 653806
2-[5-(4-chlorophenyl)-2H-tetrazol-2-yl]-N-(2-furylmethyl)acetamide
CID 863227
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
CID 1153911
N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1153917
N-[4-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440069
ethyl 5-({[(5-phenyl-2H-tetrazol-2-yl)acetyl]amino}methyl)-2-furoate
CID 1506374

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide (CID 645382) is N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
The InChIKey is XFCYQJAIMRBHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-3-21(24(32)25-19-7-4-5-8-19)29(15-20-9-6-14-33-20)22(31)16-30-27-23(26-28-30)18-12-10-17(2)11-13-18/h6,9-14,19,21H,3-5,7-8,15-16H2,1-2H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide?
N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide 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 N-cyclopentyl-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]butanamide is sourced from PubChem (CID 645382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).