N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide

C19H31N3O4 — CID 58419108

IUPACN-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NCCCN(CCO)CCO)cc1
InChIInChI=1S/C19H31N3O4/c1-15-5-7-16(8-6-15)21-18(26)19(2,3)17(25)20-9-4-10-22(11-13-23)12-14-24/h5-8,23-24H,4,9-14H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyFJJHGAANZKHRGO-UHFFFAOYSA-N
MW365.47 g/mol
LogP0.75
Rot. Bonds11

About N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide

N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (PubChem CID 58419108) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
PubChem CID58419108
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC NameN-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)NCCCN(CCO)CCO)cc1
InChIInChI=1S/C19H31N3O4/c1-15-5-7-16(8-6-15)21-18(26)19(2,3)17(25)20-9-4-10-22(11-13-23)12-14-24/h5-8,23-24H,4,9-14H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyFJJHGAANZKHRGO-UHFFFAOYSA-N
XLogP0.75
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108960603
N-[3-(dimethylamino)propyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960576
ethyl 4-[[3-[3-(dimethylamino)propylamino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108960648
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
N-(4-tert-butylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966394
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
N-[2-(dimethylamino)ethyl]-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108960255
2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957263
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The IUPAC name of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (CID 58419108) is N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.
What is the SMILES notation for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The canonical SMILES for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)NCCCN(CCO)CCO)cc1.
What is the InChIKey of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The InChIKey is FJJHGAANZKHRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-15-5-7-16(8-6-15)21-18(26)19(2,3)17(25)20-9-4-10-22(11-13-23)12-14-24/h5-8,23-24H,4,9-14H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide has a molecular weight of 365.47 g/mol, XLogP of 0.75, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-hydroxyethyl)amino]propyl]-2,2-dimethyl-N'-(4-methylphenyl)propanediamide is sourced from PubChem (CID 58419108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).