N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide

C15H30N3O3P — CID 138631206

IUPACN-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide
SMILESCC(=O)NCCCP(CCCNC(C)=O)CCCNC(C)=O
InChIInChI=1S/C15H30N3O3P/c1-13(19)16-7-4-10-22(11-5-8-17-14(2)20)12-6-9-18-15(3)21/h4-12H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyUDOLLTJGOFWQBH-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.05
Rot. Bonds12

About N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide

N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide (PubChem CID 138631206) has the molecular formula C15H30N3O3P and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide
PubChem CID138631206
Molecular FormulaC15H30N3O3P
Molecular Weight331.40 g/mol
Exact Mass331.20
IUPAC NameN-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide
SMILESCC(=O)NCCCP(CCCNC(C)=O)CCCNC(C)=O
InChIInChI=1S/C15H30N3O3P/c1-13(19)16-7-4-10-22(11-5-8-17-14(2)20)12-6-9-18-15(3)21/h4-12H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyUDOLLTJGOFWQBH-UHFFFAOYSA-N
XLogP1.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidopropyl)acetamide
CID 5147555
CID 59075972
CID 59075972
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-butylacetamide;molecular hydrogen
CID 142252069
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
N-pentadecylacetamide
CID 12009452
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
N-[2-[bis(2-acetamidoethyl)amino]ethyl]acetamide
CID 14382083
N-(8-oxononyl)acetamide
CID 58114719
ethane;N-[3-(2-methoxyethoxy)propyl]acetamide
CID 177221846

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide?
The IUPAC name of N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide (CID 138631206) is N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide.
What is the SMILES notation for N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide?
The canonical SMILES for N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide is CC(=O)NCCCP(CCCNC(C)=O)CCCNC(C)=O.
What is the InChIKey of N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide?
The InChIKey is UDOLLTJGOFWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N3O3P/c1-13(19)16-7-4-10-22(11-5-8-17-14(2)20)12-6-9-18-15(3)21/h4-12H2,1-3H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide?
N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.05, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(3-acetamidopropyl)phosphanyl]propyl]acetamide is sourced from PubChem (CID 138631206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).