N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide

C15H25N7O5 — CID 126707274

IUPACN-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide
SMILESCCCN(CC(=O)NCC(=O)NC(=O)NC=O)C(CC)c1nnc(NC)o1
InChIInChI=1S/C15H25N7O5/c1-4-6-22(10(5-2)13-20-21-15(16-3)27-13)8-12(25)17-7-11(24)19-14(26)18-9-23/h9-10H,4-8H2,1-3H3,(H,16,21)(H,17,25)(H2,18,19,23,24,26)
InChIKeySIFGFXUISVARBJ-UHFFFAOYSA-N
MW383.41 g/mol
LogP-0.63
Rot. Bonds11

About N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide

N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide (PubChem CID 126707274) has the molecular formula C15H25N7O5 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide
PubChem CID126707274
Molecular FormulaC15H25N7O5
Molecular Weight383.41 g/mol
Exact Mass383.19
IUPAC NameN-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide
SMILESCCCN(CC(=O)NCC(=O)NC(=O)NC=O)C(CC)c1nnc(NC)o1
InChIInChI=1S/C15H25N7O5/c1-4-6-22(10(5-2)13-20-21-15(16-3)27-13)8-12(25)17-7-11(24)19-14(26)18-9-23/h9-10H,4-8H2,1-3H3,(H,16,21)(H,17,25)(H2,18,19,23,24,26)
InChIKeySIFGFXUISVARBJ-UHFFFAOYSA-N
XLogP-0.63
TPSA158.56 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(diethylamino)-N-(5-propyl-1,3,4-oxadiazol-2-yl)-
CID 3073227
Acetamide, 2-(dipropylamino)-N-(5-propyl-1,3,4-oxadiazol-2-yl)-
CID 3073230
3-Butyl-2-ethyl-19-oxa-3,5,7,9,12,14,17,18-octazabicyclo[14.2.1]nonadeca-1(18),16-diene-4,6,8,11,13-pentone
CID 126707221
2-Ethyl-3-propyl-18-oxa-3,5,7,9,11,13,16,17-octazabicyclo[13.2.1]octadeca-1(17),15-diene-4,6,8,10,12-pentone
CID 126707222
(3S)-N-(formylcarbamoyl)-3-methyl-1-[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propylamino]acetyl]pyrrolidine-2-carboxamide
CID 126707232
2-Ethyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
CID 126707234
2-Ethyl-3-propyl-16-oxa-3,5,8,11,14,15-hexazabicyclo[11.2.1]hexadeca-1(15),13-diene-4,7,10-trione
CID 126707277
N-[[5-[1-[carbamoylcarbamoyl(propyl)amino]propyl]-1,3,4-oxadiazol-2-yl]carbamoylcarbamoyl]acetamide
CID 126707280
methyl N-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl]carbamate
CID 134249431
11,12-Diethyl-16-oxa-2,4,6,9,11,14,15-heptazabicyclo[11.2.1]hexadeca-1(15),13-diene-3,5,7,10-tetrone
CID 137084514
(9S)-13,14-diethyl-9-(2-methylpropyl)-18-oxa-2,4,7,10,13,16,17-heptazabicyclo[13.2.1]octadeca-1(17),15-diene-3,5,8,11-tetrone
CID 137084515
12,13-Diethyl-17-oxa-2,4,7,10,12,15,16-heptazabicyclo[12.2.1]heptadeca-1(16),14-diene-3,5,8,11-tetrone
CID 137084516

Frequently Asked Questions

What is the IUPAC name of N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide?
The IUPAC name of N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide (CID 126707274) is N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide is CCCN(CC(=O)NCC(=O)NC(=O)NC=O)C(CC)c1nnc(NC)o1.
What is the InChIKey of N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide?
The InChIKey is SIFGFXUISVARBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N7O5/c1-4-6-22(10(5-2)13-20-21-15(16-3)27-13)8-12(25)17-7-11(24)19-14(26)18-9-23/h9-10H,4-8H2,1-3H3,(H,16,21)(H,17,25)(H2,18,19,23,24,26).
What are the key properties of N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide?
N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide has a molecular weight of 383.41 g/mol, XLogP of -0.63, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(formylcarbamoyl)-2-[[2-[1-[5-(methylamino)-1,3,4-oxadiazol-2-yl]propyl-propylamino]acetyl]amino]acetamide is sourced from PubChem (CID 126707274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).