(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide

C21H27NO2 — CID 30386318

IUPAC(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H27NO2/c1-2-19(21(23)22-17-12-5-3-4-6-13-17)24-20-15-9-11-16-10-7-8-14-18(16)20/h7-11,14-15,17,19H,2-6,12-13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyWWMSKLXSLQZYRL-IBGZPJMESA-N
MW325.45 g/mol
LogP4.84
Rot. Bonds5

About (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide

(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide (PubChem CID 30386318) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
PubChem CID30386318
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCC1
InChIInChI=1S/C21H27NO2/c1-2-19(21(23)22-17-12-5-3-4-6-13-17)24-20-15-9-11-16-10-7-8-14-18(16)20/h7-11,14-15,17,19H,2-6,12-13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyWWMSKLXSLQZYRL-IBGZPJMESA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-(2-methoxyphenoxy)butanamide
CID 9172985
(2S)-N-cyclooctyl-2-(2,3-dimethylphenoxy)butanamide
CID 94027154
(2R)-N-cyclopentyl-2-(2,3-dimethylphenoxy)butanamide
CID 92677449
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
CID 9172668
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
CID 43907567
N-cyclooctyl-2-(3-methoxyphenoxy)butanamide
CID 46769347
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-N-cyclohexyl-2-(4-fluorophenoxy)butanamide
CID 28569448
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide (CID 30386318) is (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide is CC[C@H](Oc1cccc2ccccc12)C(=O)NC1CCCCCC1.
What is the InChIKey of (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide?
The InChIKey is WWMSKLXSLQZYRL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27NO2/c1-2-19(21(23)22-17-12-5-3-4-6-13-17)24-20-15-9-11-16-10-7-8-14-18(16)20/h7-11,14-15,17,19H,2-6,12-13H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide?
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide has a molecular weight of 325.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 30386318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).