N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide

C18H29N3O6 — CID 139383093

IUPACN-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide
SMILESO=CN(CCCC1CO1)C(=O)N(CCCC1CO1)C(=O)NCCCC1CO1
InChIInChI=1S/C18H29N3O6/c22-13-20(8-2-5-15-11-26-15)18(24)21(9-3-6-16-12-27-16)17(23)19-7-1-4-14-10-25-14/h13-16H,1-12H2,(H,19,23)
InChIKeyNPBNUYRZYMLLOT-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.11
Rot. Bonds13

About N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide

N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide (PubChem CID 139383093) has the molecular formula C18H29N3O6 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide.

Molecular Properties

Compound NameN-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide
PubChem CID139383093
Molecular FormulaC18H29N3O6
Molecular Weight383.45 g/mol
Exact Mass383.21
IUPAC NameN-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide
SMILESO=CN(CCCC1CO1)C(=O)N(CCCC1CO1)C(=O)NCCCC1CO1
InChIInChI=1S/C18H29N3O6/c22-13-20(8-2-5-15-11-26-15)18(24)21(9-3-6-16-12-27-16)17(23)19-7-1-4-14-10-25-14/h13-16H,1-12H2,(H,19,23)
InChIKeyNPBNUYRZYMLLOT-UHFFFAOYSA-N
XLogP1.11
TPSA107.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-(pent-4-enylcarbamoyl)carbamoyl]acetamide
CID 130433833
N-[[amino-[3-(oxiran-2-yl)propyl]carbamoyl]-(oxiran-2-ylmethyl)carbamoyl]-N-(oxiran-2-ylmethyl)formamide
CID 170368814
1-(3-hydroxypropylcarbamoyl)-1,3-bis(oxiran-2-ylmethyl)urea
CID 90243288
9-(oxiran-2-yl)-N-[4-[9-(oxiran-2-yl)nonanoylamino]butyl]nonanamide
CID 118147117
oxiran-2-yl N-[6-[bis[6-(oxiran-2-ylmethoxycarbonylamino)hexylcarbamoyl]amino]hexyl]carbamate
CID 59456238
N-[5-(oxiran-2-yl)pentyl]propanamide
CID 143590768
2-methyl-N-[9-(oxiran-2-yl)nonyl]prop-2-enamide
CID 135223244
acetaldehyde;2-[9-(oxiran-2-yl)nonyl]oxirane
CID 91305808
N-[2-(oxiran-2-yl)ethyl]carbamoyl iodide
CID 126670743
1,3-dibutyl-1-(butylcarbamoyl)urea
CID 101342122
N-[acetyl-[3-(oxiran-2-yl)propyl]carbamoyl]-N-[3-(oxiran-2-yl)propyl]hept-6-enamide
CID 88863822
oxiran-2-ylmethyl N-[6-[[8-(2-butoxyethoxycarbonylamino)octanoyl-[6-(oxiran-2-ylmethoxycarbonylamino)hexyl]carbamoyl]amino]hexyl]carbamate
CID 161131339

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide?
The IUPAC name of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide (CID 139383093) is N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide.
What is the SMILES notation for N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide?
The canonical SMILES for N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide is O=CN(CCCC1CO1)C(=O)N(CCCC1CO1)C(=O)NCCCC1CO1.
What is the InChIKey of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide?
The InChIKey is NPBNUYRZYMLLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O6/c22-13-20(8-2-5-15-11-26-15)18(24)21(9-3-6-16-12-27-16)17(23)19-7-1-4-14-10-25-14/h13-16H,1-12H2,(H,19,23).
What are the key properties of N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide?
N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide has a molecular weight of 383.45 g/mol, XLogP of 1.11, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxiran-2-yl)propyl]-N-[3-(oxiran-2-yl)propyl-[3-(oxiran-2-yl)propylcarbamoyl]carbamoyl]formamide is sourced from PubChem (CID 139383093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).