N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide

C18H27N3O3 — CID 118775293

IUPACN,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)NCC2CCOCC2)c1
InChIInChI=1S/C18H27N3O3/c1-21(2)17(22)7-6-14-4-3-5-16(12-14)20-18(23)19-13-15-8-10-24-11-9-15/h3-5,12,15H,6-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyREMHVAYGMBNKJG-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.26
Rot. Bonds6

About N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide

N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide (PubChem CID 118775293) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide
PubChem CID118775293
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)NCC2CCOCC2)c1
InChIInChI=1S/C18H27N3O3/c1-21(2)17(22)7-6-14-4-3-5-16(12-14)20-18(23)19-13-15-8-10-24-11-9-15/h3-5,12,15H,6-11,13H2,1-2H3,(H2,19,20,23)
InChIKeyREMHVAYGMBNKJG-UHFFFAOYSA-N
XLogP2.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]acetamide
CID 118763767
N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide
CID 97453984
N,N-dimethyl-3-[4-[3-(oxolan-3-yl)propylcarbamoylamino]phenyl]propanamide
CID 72919753
N,N-dimethyl-3-[4-[3-[(3R)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide
CID 97453983
3-[3-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340590
N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]thiomorpholine-4-carboxamide
CID 72857348
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
3-(oxolan-3-ylmethylcarbamoylamino)benzoic acid
CID 55118965
1-[3-(1-hydroxyethyl)phenyl]-3-(oxolan-3-ylmethyl)urea
CID 62824753
3-[3-[[2-(diethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54813784
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 72889045

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide (CID 118775293) is N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide is CN(C)C(=O)CCc1cccc(NC(=O)NCC2CCOCC2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide?
The InChIKey is REMHVAYGMBNKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-21(2)17(22)7-6-14-4-3-5-16(12-14)20-18(23)19-13-15-8-10-24-11-9-15/h3-5,12,15H,6-11,13H2,1-2H3,(H2,19,20,23).
What are the key properties of N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide?
N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide has a molecular weight of 333.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 118775293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).