N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide

C19H32N4O4 — CID 11960551

IUPACN,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide
SMILESCOc1cc(CC(C(=O)NCCN(C)C)C(=O)NCCN(C)C)ccc1O
InChIInChI=1S/C19H32N4O4/c1-22(2)10-8-20-18(25)15(19(26)21-9-11-23(3)4)12-14-6-7-16(24)17(13-14)27-5/h6-7,13,15,24H,8-12H2,1-5H3,(H,20,25)(H,21,26)
InChIKeyHIVRMQGWZYPLAY-UHFFFAOYSA-N
MW380.49 g/mol
LogP-0.08
Rot. Bonds11

About N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide

N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide (PubChem CID 11960551) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide
PubChem CID11960551
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC NameN,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide
SMILESCOc1cc(CC(C(=O)NCCN(C)C)C(=O)NCCN(C)C)ccc1O
InChIInChI=1S/C19H32N4O4/c1-22(2)10-8-20-18(25)15(19(26)21-9-11-23(3)4)12-14-6-7-16(24)17(13-14)27-5/h6-7,13,15,24H,8-12H2,1-5H3,(H,20,25)(H,21,26)
InChIKeyHIVRMQGWZYPLAY-UHFFFAOYSA-N
XLogP-0.08
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 11960435
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
1-[(3,4-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)ethyl]urea
CID 108896807
2-(4-hydroxy-3-methoxyphenyl)ethane-1,1-diol
CID 146954758
tert-butyl N-[2-[(4-hydroxy-3-methoxyphenyl)methylamino]ethyl]-N-methylcarbamate
CID 103953303
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
3-benzyl-4-(4-hydroxy-3-methoxyphenyl)butan-2-one
CID 150139580
methyl (3R)-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methylbutanoate
CID 143847693
4-[2-(hydroxyamino)propyl]-2-methoxyphenol
CID 45091599
dimethyl (2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methoxy]butanedioate
CID 171933866
2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoic acid
CID 21120243
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide (CID 11960551) is N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide is COc1cc(CC(C(=O)NCCN(C)C)C(=O)NCCN(C)C)ccc1O.
What is the InChIKey of N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide?
The InChIKey is HIVRMQGWZYPLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-22(2)10-8-20-18(25)15(19(26)21-9-11-23(3)4)12-14-6-7-16(24)17(13-14)27-5/h6-7,13,15,24H,8-12H2,1-5H3,(H,20,25)(H,21,26).
What are the key properties of N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide?
N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide has a molecular weight of 380.49 g/mol, XLogP of -0.08, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(dimethylamino)ethyl]-2-[(4-hydroxy-3-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 11960551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).