N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide

C19H34N4O2 — CID 11828601

IUPACN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide
SMILESNCCCNCCCCNCCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C19H34N4O2/c20-11-3-14-21-12-1-2-13-22-15-4-16-23-19(25)10-7-17-5-8-18(24)9-6-17/h5-6,8-9,21-22,24H,1-4,7,10-16,20H2,(H,23,25)
InChIKeyXNOLTRVSCPMWHF-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.14
Rot. Bonds15

About N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide

N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 11828601) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID11828601
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide
SMILESNCCCNCCCCNCCCNC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C19H34N4O2/c20-11-3-14-21-12-1-2-13-22-15-4-16-23-19(25)10-7-17-5-8-18(24)9-6-17/h5-6,8-9,21-22,24H,1-4,7,10-16,20H2,(H,23,25)
InChIKeyXNOLTRVSCPMWHF-UHFFFAOYSA-N
XLogP1.14
TPSA99.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide (CID 11828601) is N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide is NCCCNCCCCNCCCNC(=O)CCc1ccc(O)cc1.
What is the InChIKey of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is XNOLTRVSCPMWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c20-11-3-14-21-12-1-2-13-22-15-4-16-23-19(25)10-7-17-5-8-18(24)9-6-17/h5-6,8-9,21-22,24H,1-4,7,10-16,20H2,(H,23,25).
What are the key properties of N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 350.51 g/mol, XLogP of 1.14, 15 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 11828601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).