4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide

C17H26N2O2 — CID 66238425

IUPAC4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2COCC2N)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)8-13-4-6-14(7-5-13)12(3)19-17(20)15-9-21-10-16(15)18/h4-7,11-12,15-16H,8-10,18H2,1-3H3,(H,19,20)
InChIKeyXTINHRZKKFMBMU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.04
Rot. Bonds5

About 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide

4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 66238425) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
PubChem CID66238425
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)C2COCC2N)cc1
InChIInChI=1S/C17H26N2O2/c1-11(2)8-13-4-6-14(7-5-13)12(3)19-17(20)15-9-21-10-16(15)18/h4-7,11-12,15-16H,8-10,18H2,1-3H3,(H,19,20)
InChIKeyXTINHRZKKFMBMU-UHFFFAOYSA-N
XLogP2.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-phenylpropan-2-yl)oxolane-3-carboxamide
CID 66235478
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
4-amino-N-(1-naphthalen-1-ylethyl)oxolane-3-carboxamide
CID 66238289
4-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 81378149
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxolane-3-carboxamide
CID 107863151
4-amino-N-[1-(2,4-dimethylphenyl)ethyl]oxolane-3-carboxamide
CID 66238450
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43007222
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 66237264
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanediamide
CID 60848149
4-(methylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]oxolane-3-carboxamide
CID 66265793
4-amino-N-[2-(dimethylamino)-1-phenylethyl]oxolane-3-carboxamide
CID 66237272

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide (CID 66238425) is 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide is CC(C)Cc1ccc(C(C)NC(=O)C2COCC2N)cc1.
What is the InChIKey of 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is XTINHRZKKFMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)8-13-4-6-14(7-5-13)12(3)19-17(20)15-9-21-10-16(15)18/h4-7,11-12,15-16H,8-10,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide?
4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66238425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).