(2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide

C27H49N3O5 — CID 11755536

IUPAC(2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide
SMILESCOCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN(C)C)C(C)C)ccc1OC
InChIInChI=1S/C27H49N3O5/c1-19(2)22(16-21-9-10-25(34-7)26(17-21)35-14-8-13-33-6)18-23(28)24(31)15-20(3)27(32)29-11-12-30(4)5/h9-10,17,19-20,22-24,31H,8,11-16,18,28H2,1-7H3,(H,29,32)/t20-,22+,23+,24+/m1/s1
InChIKeyARRBEPDQWNZWQY-KAMZKSLDSA-N
MW495.71 g/mol
LogP2.71
Rot. Bonds18

About (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide

(2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide (PubChem CID 11755536) has the molecular formula C27H49N3O5 and a molecular weight of 495.71 g/mol. Its IUPAC name is (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide.

Molecular Properties

Compound Name(2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide
PubChem CID11755536
Molecular FormulaC27H49N3O5
Molecular Weight495.71 g/mol
Exact Mass495.37
IUPAC Name(2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide
SMILESCOCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN(C)C)C(C)C)ccc1OC
InChIInChI=1S/C27H49N3O5/c1-19(2)22(16-21-9-10-25(34-7)26(17-21)35-14-8-13-33-6)18-23(28)24(31)15-20(3)27(32)29-11-12-30(4)5/h9-10,17,19-20,22-24,31H,8,11-16,18,28H2,1-7H3,(H,29,32)/t20-,22+,23+,24+/m1/s1
InChIKeyARRBEPDQWNZWQY-KAMZKSLDSA-N
XLogP2.71
TPSA106.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.71
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide?
The IUPAC name of (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide (CID 11755536) is (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide.
What is the SMILES notation for (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide?
The canonical SMILES for (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide is COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCN(C)C)C(C)C)ccc1OC.
What is the InChIKey of (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide?
The InChIKey is ARRBEPDQWNZWQY-KAMZKSLDSA-N. The full InChI is InChI=1S/C27H49N3O5/c1-19(2)22(16-21-9-10-25(34-7)26(17-21)35-14-8-13-33-6)18-23(28)24(31)15-20(3)27(32)29-11-12-30(4)5/h9-10,17,19-20,22-24,31H,8,11-16,18,28H2,1-7H3,(H,29,32)/t20-,22+,23+,24+/m1/s1.
What are the key properties of (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide?
(2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide has a molecular weight of 495.71 g/mol, XLogP of 2.71, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,7S)-5-amino-N-[2-(dimethylamino)ethyl]-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide is sourced from PubChem (CID 11755536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).