N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide

C17H26N2O2 — CID 63010645

IUPACN-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
SMILESCCCNC(C)c1ccccc1NC(=O)C1CCCOC1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-13(2)15-8-4-5-9-16(15)19-17(20)14-7-6-11-21-12-14/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyDZYSJWLKOSFISN-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.11
Rot. Bonds6

About N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide

N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide (PubChem CID 63010645) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
PubChem CID63010645
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide
SMILESCCCNC(C)c1ccccc1NC(=O)C1CCCOC1
InChIInChI=1S/C17H26N2O2/c1-3-10-18-13(2)15-8-4-5-9-16(15)19-17(20)14-7-6-11-21-12-14/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyDZYSJWLKOSFISN-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272378
N-[2-[1-(ethylamino)ethyl]phenyl]cyclohexanecarboxamide
CID 43508004
N-[3-[1-(propylamino)ethyl]phenyl]oxolane-3-carboxamide
CID 61272203
2-cyclopropyl-N-[2-[1-(propylamino)ethyl]phenyl]acetamide
CID 55031756
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429
N-[2-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
CID 43507972
methyl 2-(oxane-3-carbonylamino)benzoate
CID 55109995
1,1-dimethyl-3-[2-[1-(propylamino)ethyl]phenyl]urea
CID 79154849
2-ethyl-N-[2-[1-(propylamino)ethyl]phenyl]butanamide
CID 43508040
N-(2-ethylsulfanylphenyl)oxolane-3-carboxamide
CID 131889204
2-methylsulfonyl-N-[2-[1-(propylamino)ethyl]phenyl]propanamide
CID 104517879
N-[2-(1-chloroethyl)phenyl]cyclobutanecarboxamide
CID 114304919

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide?
The IUPAC name of N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide (CID 63010645) is N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide is CCCNC(C)c1ccccc1NC(=O)C1CCCOC1.
What is the InChIKey of N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide?
The InChIKey is DZYSJWLKOSFISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-10-18-13(2)15-8-4-5-9-16(15)19-17(20)14-7-6-11-21-12-14/h4-5,8-9,13-14,18H,3,6-7,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide?
N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(propylamino)ethyl]phenyl]oxane-3-carboxamide is sourced from PubChem (CID 63010645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).