(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone

C17H25NO3 — CID 116587830

IUPAC(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H25NO3/c1-4-8-18-16-11-20-10-15(16)17(19)13-6-5-7-14(9-13)21-12(2)3/h5-7,9,12,15-16,18H,4,8,10-11H2,1-3H3
InChIKeyDJGPODUPFMVEMN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.67
Rot. Bonds7

About (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone

(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 116587830) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID116587830
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C17H25NO3/c1-4-8-18-16-11-20-10-15(16)17(19)13-6-5-7-14(9-13)21-12(2)3/h5-7,9,12,15-16,18H,4,8,10-11H2,1-3H3
InChIKeyDJGPODUPFMVEMN-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxyphenyl)-[4-(ethylamino)oxolan-3-yl]methanone
CID 116588175
(2,6-dimethoxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116811557
(5-ethoxy-3-pyridinyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 116587893
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
(2-cyclobutylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114607650
2-methyl-1-[4-(propylamino)oxolan-3-yl]propan-1-one
CID 116587663
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
(2-methoxy-3,4-dimethylphenyl)-[4-(propylamino)oxolan-3-yl]methanone
CID 103434883
(4-ethoxyoxan-4-yl)-(3-propan-2-yloxyphenyl)methanone
CID 116748889
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
(5-chloro-1-benzofuran-2-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114736916
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone (CID 116587830) is (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is DJGPODUPFMVEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-8-18-16-11-20-10-15(16)17(19)13-6-5-7-14(9-13)21-12(2)3/h5-7,9,12,15-16,18H,4,8,10-11H2,1-3H3.
What are the key properties of (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone?
(3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 116587830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).