N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide

C23H27NO4 — CID 91785665

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1cccc2ccccc12)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C23H27NO4/c25-21(19-7-3-5-17-4-1-2-6-18(17)19)10-11-23(26)24-20-15-27-13-12-22(20)28-14-16-8-9-16/h1-7,16,20,22H,8-15H2,(H,24,26)/t20-,22+/m1/s1
InChIKeyBWVFKKCMEZUQIW-IRLDBZIGSA-N
MW381.47 g/mol
LogP3.50
Rot. Bonds8

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide (PubChem CID 91785665) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide
PubChem CID91785665
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide
SMILESO=C(CCC(=O)c1cccc2ccccc12)N[C@@H]1COCC[C@@H]1OCC1CC1
InChIInChI=1S/C23H27NO4/c25-21(19-7-3-5-17-4-1-2-6-18(17)19)10-11-23(26)24-20-15-27-13-12-22(20)28-14-16-8-9-16/h1-7,16,20,22H,8-15H2,(H,24,26)/t20-,22+/m1/s1
InChIKeyBWVFKKCMEZUQIW-IRLDBZIGSA-N
XLogP3.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-(1H-indol-3-yl)propanamide
CID 91768162
N-[(3R,4S)-4-[2-(dimethylamino)-2-oxoethoxy]oxan-3-yl]naphthalene-1-carboxamide
CID 91767911
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-naphthalen-1-yl-4-oxobutanamide
CID 70719980
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91762043
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 91761705
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91788580
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]isoquinoline-5-carboxamide
CID 91777302
2-[(3R,4S)-3-(4-phenoxybutanoylamino)oxan-4-yl]oxyacetic acid
CID 91788296
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1,3-oxazole-5-carboxamide
CID 91790782
3-pyridin-2-yl-N-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]propanamide
CID 91783906
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91765978

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide (CID 91785665) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide is O=C(CCC(=O)c1cccc2ccccc12)N[C@@H]1COCC[C@@H]1OCC1CC1.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide?
The InChIKey is BWVFKKCMEZUQIW-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H27NO4/c25-21(19-7-3-5-17-4-1-2-6-18(17)19)10-11-23(26)24-20-15-27-13-12-22(20)28-14-16-8-9-16/h1-7,16,20,22H,8-15H2,(H,24,26)/t20-,22+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide has a molecular weight of 381.47 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-4-naphthalen-1-yl-4-oxobutanamide is sourced from PubChem (CID 91785665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).