N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide

C16H24N2O3 — CID 120827577

IUPACN-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide
SMILESCNC(C)CNC(=O)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(17-2)11-18-16(19)13-3-5-14(6-4-13)21-15-7-9-20-10-8-15/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyKQQQOGLZMHDKLZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.58
Rot. Bonds6

About N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide

N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide (PubChem CID 120827577) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide
PubChem CID120827577
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide
SMILESCNC(C)CNC(=O)c1ccc(OC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(17-2)11-18-16(19)13-3-5-14(6-4-13)21-15-7-9-20-10-8-15/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyKQQQOGLZMHDKLZ-UHFFFAOYSA-N
XLogP1.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120826642
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466236
4-[[4-(oxan-4-yloxy)benzoyl]amino]butanoic acid
CID 119171028
3-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]butanoic acid
CID 119170374
2-[2-[[4-(oxan-4-yloxy)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242540
7-[[4-(oxan-4-yloxy)benzoyl]amino]heptanoic acid
CID 119227603
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
2-[methyl-[4-(oxan-4-yloxy)benzoyl]amino]propanoic acid
CID 119209529
2-methyl-2-[[4-(oxan-4-yloxy)benzoyl]amino]propanoic acid
CID 119187857
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
CID 120829043
N-(3-hydroxycyclobutyl)-4-(oxan-4-yloxy)benzamide
CID 136582746
(E)-2-[[4-(oxan-4-yloxy)benzoyl]amino]hex-4-enoic acid
CID 120693536

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide (CID 120827577) is N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide is CNC(C)CNC(=O)c1ccc(OC2CCOCC2)cc1.
What is the InChIKey of N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide?
The InChIKey is KQQQOGLZMHDKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(17-2)11-18-16(19)13-3-5-14(6-4-13)21-15-7-9-20-10-8-15/h3-6,12,15,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide?
N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide is sourced from PubChem (CID 120827577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).