N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide

C18H26N4O4 — CID 2901283

IUPACN'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCc1cccc(CNC(=O)C(=O)NCCC)c1
InChIInChI=1S/C18H26N4O4/c1-3-8-19-15(23)17(25)21-11-13-6-5-7-14(10-13)12-22-18(26)16(24)20-9-4-2/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyUCWTZRUQMPOZNT-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.03
Rot. Bonds8

About N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide

N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide (PubChem CID 2901283) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
PubChem CID2901283
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCc1cccc(CNC(=O)C(=O)NCCC)c1
InChIInChI=1S/C18H26N4O4/c1-3-8-19-15(23)17(25)21-11-13-6-5-7-14(10-13)12-22-18(26)16(24)20-9-4-2/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyUCWTZRUQMPOZNT-UHFFFAOYSA-N
XLogP-0.03
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N-(2-aminoethyl)-N'-[[3-(hydroxymethyl)phenyl]methyl]oxamide
CID 107211780
3-methyl-N-[[3-[(propylcarbamoylamino)methyl]phenyl]methyl]butanamide
CID 23879599
3-[(propylcarbamoylamino)methyl]benzoic acid
CID 60895496
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
N'-[(3-methylphenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984715
1-[(3-fluorophenyl)methyl]-3-propylthiourea
CID 115579624
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
(3-ethylphenyl)methylurea
CID 70298508
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide?
The IUPAC name of N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide (CID 2901283) is N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide.
What is the SMILES notation for N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide?
The canonical SMILES for N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide is CCCNC(=O)C(=O)NCc1cccc(CNC(=O)C(=O)NCCC)c1.
What is the InChIKey of N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide?
The InChIKey is UCWTZRUQMPOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-8-19-15(23)17(25)21-11-13-6-5-7-14(10-13)12-22-18(26)16(24)20-9-4-2/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26).
What are the key properties of N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide?
N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide has a molecular weight of 362.43 g/mol, XLogP of -0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[[[2-oxo-2-(propylamino)acetyl]amino]methyl]phenyl]methyl]-N-propyloxamide is sourced from PubChem (CID 2901283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).