N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide

C22H39N5O3 — CID 11204996

IUPACN-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)N[C@@H](C(=O)NCCCNCCCCNCCCN)c1ccc(O)cc1
InChIInChI=1S/C22H39N5O3/c1-2-7-20(29)27-21(18-8-10-19(28)11-9-18)22(30)26-17-6-16-25-14-4-3-13-24-15-5-12-23/h8-11,21,24-25,28H,2-7,12-17,23H2,1H3,(H,26,30)(H,27,29)/t21-/m1/s1
InChIKeyIQSNWZCDUQHKCA-OAQYLSRUSA-N
MW421.59 g/mol
LogP1.16
Rot. Bonds17

About N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide

N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide (PubChem CID 11204996) has the molecular formula C22H39N5O3 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide
PubChem CID11204996
Molecular FormulaC22H39N5O3
Molecular Weight421.59 g/mol
Exact Mass421.31
IUPAC NameN-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide
SMILESCCCC(=O)N[C@@H](C(=O)NCCCNCCCCNCCCN)c1ccc(O)cc1
InChIInChI=1S/C22H39N5O3/c1-2-7-20(29)27-21(18-8-10-19(28)11-9-18)22(30)26-17-6-16-25-14-4-3-13-24-15-5-12-23/h8-11,21,24-25,28H,2-7,12-17,23H2,1H3,(H,26,30)(H,27,29)/t21-/m1/s1
InChIKeyIQSNWZCDUQHKCA-OAQYLSRUSA-N
XLogP1.16
TPSA128.51 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 51.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide;tris(2,2,2-trifluoroacetic acid)
CID 11204995
N-[(2S)-1-[3-[[(1R,2R)-2-[(3-aminopropylamino)methyl]cyclopropyl]methylamino]propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
CID 155546334
N-[(2S)-1-[4-[[(2S)-1-(3-aminopropylamino)propan-2-yl]amino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
CID 102008653
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-5-(butanoylamino)pentanamide
CID 59104625
N-[(2S)-1-[3-[3-(4-aminobutylamino)propylamino]propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]butanamide
CID 14608133
N-[3-[4-[3-(3-aminopropylamino)propylamino]butylamino]propyl]-4-hydroxybenzamide
CID 101205073
N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]butanamide;tris(2,2,2-trifluoroacetic acid)
CID 11787731
N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-(pentylamino)propan-2-yl]butanamide
CID 59878928
(2S)-2-acetamido-N-[8-(3-aminopropylamino)octyl]-3-(4-hydroxyphenyl)propanamide
CID 10145999
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
4-[[[(2S)-2-(hexanoylamino)-2-(4-hydroxyphenyl)acetyl]amino]methyl]benzamide
CID 164626332
N-[(5S)-5-amino-15-(3-aminopropylamino)-6-oxopentadecyl]butanamide
CID 58260252

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
The IUPAC name of N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide (CID 11204996) is N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
The canonical SMILES for N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide is CCCC(=O)N[C@@H](C(=O)NCCCNCCCCNCCCN)c1ccc(O)cc1.
What is the InChIKey of N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
The InChIKey is IQSNWZCDUQHKCA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H39N5O3/c1-2-7-20(29)27-21(18-8-10-19(28)11-9-18)22(30)26-17-6-16-25-14-4-3-13-24-15-5-12-23/h8-11,21,24-25,28H,2-7,12-17,23H2,1H3,(H,26,30)(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide?
N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide has a molecular weight of 421.59 g/mol, XLogP of 1.16, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-(4-hydroxyphenyl)-2-oxoethyl]butanamide is sourced from PubChem (CID 11204996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).