2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide

C15H22N2O4 — CID 561543

IUPAC2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide
SMILESCN(C)C(=O)C(O)C(OCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-16(2)14(19)12(18)13(15(20)17(3)4)21-10-11-8-6-5-7-9-11/h5-9,12-13,18H,10H2,1-4H3
InChIKeyQNLMRDTUNBDLRL-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.11
Rot. Bonds6

About 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide

2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide (PubChem CID 561543) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide.

Molecular Properties

Compound Name2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide
PubChem CID561543
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide
SMILESCN(C)C(=O)C(O)C(OCc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-16(2)14(19)12(18)13(15(20)17(3)4)21-10-11-8-6-5-7-9-11/h5-9,12-13,18H,10H2,1-4H3
InChIKeyQNLMRDTUNBDLRL-UHFFFAOYSA-N
XLogP0.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl (3R)-2-hydroxy-3-phenylmethoxybutanedioate
CID 173467023
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
(2R,3S,4S,5R)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanoyl fluoride
CID 90726684
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl (2R,3S,4R)-4-hydroxy-3-methyl-2-phenylmethoxypentanoate
CID 11791672
(3S)-3-(dibenzylamino)-2-phenylmethoxybutanoic acid
CID 118525691
benzyl N,N-dimethylcarbamate
CID 12963450
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
4-hydroxy-4-phenylmethoxybutan-2-one
CID 130149628
N-(1-hydroxypropan-2-yl)-N-methyl-2-phenylmethoxypropanamide
CID 112548097
3-hydroxy-4-phenylmethoxyhexanoic acid
CID 70028361

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide?
The IUPAC name of 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide (CID 561543) is 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide.
What is the SMILES notation for 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide?
The canonical SMILES for 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide is CN(C)C(=O)C(O)C(OCc1ccccc1)C(=O)N(C)C.
What is the InChIKey of 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide?
The InChIKey is QNLMRDTUNBDLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-16(2)14(19)12(18)13(15(20)17(3)4)21-10-11-8-6-5-7-9-11/h5-9,12-13,18H,10H2,1-4H3.
What are the key properties of 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide?
2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide has a molecular weight of 294.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N,N',N'-tetramethyl-3-phenylmethoxybutanediamide is sourced from PubChem (CID 561543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).