N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide

C15H19NO5 — CID 61233776

IUPACN,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCO)CCO)cc1C#CCO
InChIInChI=1S/C15H19NO5/c1-21-14-5-4-13(11-12(14)3-2-8-17)15(20)16(6-9-18)7-10-19/h4-5,11,17-19H,6-10H2,1H3
InChIKeyMMWWVKKNZWTXPI-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.53
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide

N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide (PubChem CID 61233776) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
PubChem CID61233776
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CCO)CCO)cc1C#CCO
InChIInChI=1S/C15H19NO5/c1-21-14-5-4-13(11-12(14)3-2-8-17)15(20)16(6-9-18)7-10-19/h4-5,11,17-19H,6-10H2,1H3
InChIKeyMMWWVKKNZWTXPI-UHFFFAOYSA-N
XLogP-0.53
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034198
N-(2-amino-2-oxoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 103103830
3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034076
3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61034206
N-(2,3-dimethylbutyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 64598050
N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-4-methoxy-N-methylbenzamide
CID 61034218
3-(4-hydroxybut-1-ynyl)-N-(1-hydroxypropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104553597
N-(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxy-N-methylbenzenesulfonamide
CID 60961983
N-(cyclobutylmethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide
CID 61034091
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-4-methoxy-N-methylbenzamide
CID 63699329
3-(3-aminoprop-1-ynyl)-4-methoxy-N-methyl-N-propylbenzamide
CID 54910570
N-(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-N,4-dimethylbenzamide
CID 81475776

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide (CID 61233776) is N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide is COc1ccc(C(=O)N(CCO)CCO)cc1C#CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
The InChIKey is MMWWVKKNZWTXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-21-14-5-4-13(11-12(14)3-2-8-17)15(20)16(6-9-18)7-10-19/h4-5,11,17-19H,6-10H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide?
N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide has a molecular weight of 293.32 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-(3-hydroxyprop-1-ynyl)-4-methoxybenzamide is sourced from PubChem (CID 61233776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).