N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

C24H30N6O4 — CID 3179962

IUPACN-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(OC)c1
InChIInChI=1S/C24H30N6O4/c1-4-20(24(32)25-17-8-5-6-9-17)30(18-10-7-11-19(14-18)33-3)22(31)15-29-27-23(26-28-29)21-13-12-16(2)34-21/h7,10-14,17,20H,4-6,8-9,15H2,1-3H3,(H,25,32)
InChIKeyKKBYPUGSNKHWSV-UHFFFAOYSA-N
MW466.54 g/mol
LogP3.12
Rot. Bonds9

About N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (PubChem CID 3179962) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
PubChem CID3179962
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(OC)c1
InChIInChI=1S/C24H30N6O4/c1-4-20(24(32)25-17-8-5-6-9-17)30(18-10-7-11-19(14-18)33-3)22(31)15-29-27-23(26-28-29)21-13-12-16(2)34-21/h7,10-14,17,20H,4-6,8-9,15H2,1-3H3,(H,25,32)
InChIKeyKKBYPUGSNKHWSV-UHFFFAOYSA-N
XLogP3.12
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-((2-Methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-pentanoic acid cyclopentylamide
CID 647713
N-(tert-Butylcarbamoyl-methyl)-N-(2-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 648211
N-(3-Chloro-4-fluoro-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-acetamide
CID 651258
N-Cyclopentyl-2-furan-2-yl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-phenyl-amino)-acetamide
CID 655204
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-{[(furan-2-ylmethyl)carbamoyl]methyl}-1,2,3,4-tetrazol-5-yl)phenyl]-3-methylbutanamide
CID 1440069
N-tert-Butyl-2-((4-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-furan-2-yl-acetamide
CID 3179107
N-tert-Butyl-2-((3-methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-thiophen-2-yl-acetamide
CID 3179221
N-(3-Chloro-4-fluoro-phenyl)-N-cyclopentylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179786
N-Cyclopentylcarbamoylmethyl-N-(4-methoxy-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179795
N-Cyclopentylcarbamoylmethyl-N-(2-methoxy-5-methyl-phenyl)-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetamide
CID 3179808

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The IUPAC name of N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (CID 3179962) is N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The canonical SMILES for N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cccc(OC)c1.
What is the InChIKey of N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The InChIKey is KKBYPUGSNKHWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-4-20(24(32)25-17-8-5-6-9-17)30(18-10-7-11-19(14-18)33-3)22(31)15-29-27-23(26-28-29)21-13-12-16(2)34-21/h7,10-14,17,20H,4-6,8-9,15H2,1-3H3,(H,25,32).
What are the key properties of N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide has a molecular weight of 466.54 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is sourced from PubChem (CID 3179962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).