N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide

C21H29NO3 — CID 129433198

IUPACN-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide
SMILESCC(C)(CC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)CC(=O)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-21(2,13-18(23)15-6-4-3-5-7-15)14-20(24)22-17-10-11-25-19(12-17)16-8-9-16/h3-7,16-17,19H,8-14H2,1-2H3,(H,22,24)/t17-,19+/m1/s1
InChIKeyKBRIGBBUWDEHCE-MJGOQNOKSA-N
MW343.47 g/mol
LogP3.75
Rot. Bonds7

About N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide

N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide (PubChem CID 129433198) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide
PubChem CID129433198
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC NameN-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide
SMILESCC(C)(CC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)CC(=O)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-21(2,13-18(23)15-6-4-3-5-7-15)14-20(24)22-17-10-11-25-19(12-17)16-8-9-16/h3-7,16-17,19H,8-14H2,1-2H3,(H,22,24)/t17-,19+/m1/s1
InChIKeyKBRIGBBUWDEHCE-MJGOQNOKSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R,4R)-2-cyclopropyloxan-4-yl]-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
CID 124845954
2-anilino-N-(2-methyloxan-4-yl)acetamide
CID 114107774
3-[2-[(2-methyloxan-4-yl)amino]-2-oxoethyl]benzoic acid
CID 120550350
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
CID 124571830
1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
2-cyclopropyl-N-[2-(trifluoromethylsulfonyl)phenyl]oxan-4-amine
CID 133473451
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methyl-3-methylsulfanylphenyl)urea
CID 125137959
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 97308523
2-(2-bromophenyl)-N-(2-propan-2-yloxan-4-yl)acetamide
CID 122159167
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide?
The IUPAC name of N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide (CID 129433198) is N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide is CC(C)(CC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)CC(=O)c1ccccc1.
What is the InChIKey of N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide?
The InChIKey is KBRIGBBUWDEHCE-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H29NO3/c1-21(2,13-18(23)15-6-4-3-5-7-15)14-20(24)22-17-10-11-25-19(12-17)16-8-9-16/h3-7,16-17,19H,8-14H2,1-2H3,(H,22,24)/t17-,19+/m1/s1.
What are the key properties of N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide?
N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide has a molecular weight of 343.47 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R)-2-cyclopropyloxan-4-yl]-3,3-dimethyl-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 129433198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).