(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide

C19H35N5O2 — CID 11824683

IUPAC(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide
SMILESNCCCNCCCCNCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C19H35N5O2/c20-9-3-12-22-10-1-2-11-23-13-4-14-24-19(26)18(21)15-16-5-7-17(25)8-6-16/h5-8,18,22-23,25H,1-4,9-15,20-21H2,(H,24,26)/t18-/m0/s1
InChIKeyHCEQKVSFJZNMQO-SFHVURJKSA-N
MW365.52 g/mol
LogP0.08
Rot. Bonds15

About (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 11824683) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID11824683
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide
SMILESNCCCNCCCCNCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C19H35N5O2/c20-9-3-12-22-10-1-2-11-23-13-4-14-24-19(26)18(21)15-16-5-7-17(25)8-6-16/h5-8,18,22-23,25H,1-4,9-15,20-21H2,(H,24,26)/t18-/m0/s1
InChIKeyHCEQKVSFJZNMQO-SFHVURJKSA-N
XLogP0.08
TPSA125.43 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 50.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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 (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide (CID 11824683) is (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide is NCCCNCCCCNCCCNC(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is HCEQKVSFJZNMQO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H35N5O2/c20-9-3-12-22-10-1-2-11-23-13-4-14-24-19(26)18(21)15-16-5-7-17(25)8-6-16/h5-8,18,22-23,25H,1-4,9-15,20-21H2,(H,24,26)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 365.52 g/mol, XLogP of 0.08, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 11824683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).