N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide

C20H30N2O3 — CID 97028510

IUPACN-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCCC[C@H]2C2CCCCC2)o1
InChIInChI=1S/C20H30N2O3/c1-15(23)21-14-17-11-12-19(25-17)20(24)22-13-7-3-6-10-18(22)16-8-4-2-5-9-16/h11-12,16,18H,2-10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyQMNBIKVCLRIMLM-SFHVURJKSA-N
MW346.47 g/mol
LogP3.88
Rot. Bonds4

About N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide

N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide (PubChem CID 97028510) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide
PubChem CID97028510
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCCCC[C@H]2C2CCCCC2)o1
InChIInChI=1S/C20H30N2O3/c1-15(23)21-14-17-11-12-19(25-17)20(24)22-13-7-3-6-10-18(22)16-8-4-2-5-9-16/h11-12,16,18H,2-10,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyQMNBIKVCLRIMLM-SFHVURJKSA-N
XLogP3.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574551
5-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124574550
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
5-[(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl]furan-2-carboxylic acid
CID 124574603
5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
CID 51955546
(5-ethylfuran-2-yl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79560435
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
CID 93436463
(5-iodofuran-2-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2129746
N-[2-[5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]furan-2-yl]phenyl]-2,2-dimethylpropanamide
CID 58707726
N-[[5-[(2R)-azepan-2-yl]furan-2-yl]methyl]acetamide
CID 99978713

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide (CID 97028510) is N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCCCC[C@H]2C2CCCCC2)o1.
What is the InChIKey of N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide?
The InChIKey is QMNBIKVCLRIMLM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(23)21-14-17-11-12-19(25-17)20(24)22-13-7-3-6-10-18(22)16-8-4-2-5-9-16/h11-12,16,18H,2-10,13-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide?
N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 97028510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).