(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide

C16H26N2O2 — CID 95625366

IUPAC(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NCc1ccc(C)n1C
InChIInChI=1S/C16H26N2O2/c1-4-15(20-14-7-5-6-8-14)16(19)17-11-13-10-9-12(2)18(13)3/h9-10,14-15H,4-8,11H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyXXYITCYITBWNSC-HNNXBMFYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds6

About (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide

(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide (PubChem CID 95625366) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
PubChem CID95625366
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide
SMILESCC[C@H](OC1CCCC1)C(=O)NCc1ccc(C)n1C
InChIInChI=1S/C16H26N2O2/c1-4-15(20-14-7-5-6-8-14)16(19)17-11-13-10-9-12(2)18(13)3/h9-10,14-15H,4-8,11H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyXXYITCYITBWNSC-HNNXBMFYSA-N
XLogP2.69
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
(2R)-2-cyclopentyloxy-N-[3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 96533467
5-(2-cyclopentyloxybutanoylamino)pentanoic acid
CID 119234716
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
CID 119525775
N-[(1,5-dimethylpyrrol-2-yl)methyl]cyclopentanamine
CID 100792166
6-[(2-cyclopentyloxybutanoylamino)methyl]-2-cyclopropylpyridine-3-carboxylic acid
CID 138002816
N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide
CID 119528830
N-[(1,5-dimethylpyrrol-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43620654
4-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-2-methylbutanamide
CID 80542152
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide
CID 97095327
2-cyclohexyloxy-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447644
2-cyclohexyloxy-N-piperidin-1-ylbutanamide
CID 102560917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
The IUPAC name of (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide (CID 95625366) is (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide is CC[C@H](OC1CCCC1)C(=O)NCc1ccc(C)n1C.
What is the InChIKey of (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
The InChIKey is XXYITCYITBWNSC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-15(20-14-7-5-6-8-14)16(19)17-11-13-10-9-12(2)18(13)3/h9-10,14-15H,4-8,11H2,1-3H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide?
(2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyloxy-N-[(1,5-dimethylpyrrol-2-yl)methyl]butanamide is sourced from PubChem (CID 95625366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).