N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide

C19H29N3O3 — CID 97453984

IUPACN,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1
InChIInChI=1S/C19H29N3O3/c1-22(2)18(23)10-7-15-5-8-17(9-6-15)21-19(24)20-12-3-4-16-11-13-25-14-16/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyBTYHIBDLFHDTSW-INIZCTEOSA-N
MW347.46 g/mol
LogP2.65
Rot. Bonds8

About N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide

N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide (PubChem CID 97453984) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide
PubChem CID97453984
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1
InChIInChI=1S/C19H29N3O3/c1-22(2)18(23)10-7-15-5-8-17(9-6-15)21-19(24)20-12-3-4-16-11-13-25-14-16/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyBTYHIBDLFHDTSW-INIZCTEOSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
1-[3-[(3R)-oxolan-3-yl]propyl]-3-(4-sulfamoylphenyl)urea
CID 125179663
N,N-dimethyl-3-[3-(oxan-4-ylmethylcarbamoylamino)phenyl]propanamide
CID 118775293
2-methoxy-5-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]benzamide
CID 126435497
1-[3-(oxolan-3-yl)propyl]-3-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]urea
CID 118762287
1-(2-chloro-4,6-dimethylphenyl)-3-[3-[(3S)-oxolan-3-yl]propyl]urea
CID 97437249
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686756
4-[3-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]-3-oxopropyl]benzoic acid
CID 124686884
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394
1-[2-(2-fluorophenoxy)phenyl]-3-[3-[(3R)-oxolan-3-yl]propyl]urea
CID 97437885

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide (CID 97453984) is N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide is CN(C)C(=O)CCc1ccc(NC(=O)NCCC[C@H]2CCOC2)cc1.
What is the InChIKey of N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide?
The InChIKey is BTYHIBDLFHDTSW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-22(2)18(23)10-7-15-5-8-17(9-6-15)21-19(24)20-12-3-4-16-11-13-25-14-16/h5-6,8-9,16H,3-4,7,10-14H2,1-2H3,(H2,20,21,24)/t16-/m0/s1.
What are the key properties of N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide?
N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[3-[(3S)-oxolan-3-yl]propylcarbamoylamino]phenyl]propanamide is sourced from PubChem (CID 97453984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).