N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane

C18H31N3O4 — CID 155724821

IUPACN-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane
SMILESCCC.CNCC(=O)NC(C)C(=O)Nc1cccc(C(OC)OC)c1
InChIInChI=1S/C15H23N3O4.C3H8/c1-10(17-13(19)9-16-2)14(20)18-12-7-5-6-11(8-12)15(21-3)22-4;1-3-2/h5-8,10,15-16H,9H2,1-4H3,(H,17,19)(H,18,20);3H2,1-2H3
InChIKeyDNUFAUUDCRNCDT-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.06
Rot. Bonds8

About N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane

N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane (PubChem CID 155724821) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane.

Molecular Properties

Compound NameN-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane
PubChem CID155724821
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC NameN-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane
SMILESCCC.CNCC(=O)NC(C)C(=O)Nc1cccc(C(OC)OC)c1
InChIInChI=1S/C15H23N3O4.C3H8/c1-10(17-13(19)9-16-2)14(20)18-12-7-5-6-11(8-12)15(21-3)22-4;1-3-2/h5-8,10,15-16H,9H2,1-4H3,(H,17,19)(H,18,20);3H2,1-2H3
InChIKeyDNUFAUUDCRNCDT-UHFFFAOYSA-N
XLogP2.06
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
CID 155724825
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
N-[3-(dimethoxymethyl)phenyl]-2-(4-hydroxy-2-methoxyphenyl)acetamide
CID 66906931
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
CID 168924991
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-phenylpropanamide;hydrochloride
CID 119785054
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane?
The IUPAC name of N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane (CID 155724821) is N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane.
What is the SMILES notation for N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane?
The canonical SMILES for N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane is CCC.CNCC(=O)NC(C)C(=O)Nc1cccc(C(OC)OC)c1.
What is the InChIKey of N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane?
The InChIKey is DNUFAUUDCRNCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4.C3H8/c1-10(17-13(19)9-16-2)14(20)18-12-7-5-6-11(8-12)15(21-3)22-4;1-3-2/h5-8,10,15-16H,9H2,1-4H3,(H,17,19)(H,18,20);3H2,1-2H3.
What are the key properties of N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane?
N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane has a molecular weight of 353.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane is sourced from PubChem (CID 155724821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).