N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide

C14H22N2O4 — CID 155996445

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cccn1C)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C14H22N2O4/c1-3-6-16(11-8-20-9-12(17)13(11)18)14(19)10-5-4-7-15(10)2/h4-5,7,11-13,17-18H,3,6,8-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyMYOVHYRFHGTIHK-UPJWGTAASA-N
MW282.34 g/mol
LogP-0.00
Rot. Bonds4

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide (PubChem CID 155996445) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide
PubChem CID155996445
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C(=O)c1cccn1C)[C@@H]1COC[C@@H](O)[C@H]1O
InChIInChI=1S/C14H22N2O4/c1-3-6-16(11-8-20-9-12(17)13(11)18)14(19)10-5-4-7-15(10)2/h4-5,7,11-13,17-18H,3,6,8-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyMYOVHYRFHGTIHK-UPJWGTAASA-N
XLogP-0.00
TPSA74.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 155996402
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-phenyl-N-propyl-1H-imidazole-5-carboxamide
CID 155996403
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 43596000
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
ethyl 2-[(1-methylpyrrole-2-carbonyl)-propylamino]acetate
CID 54898758
N-piperidin-4-yl-N,1-dipropylpyrrole-2-carboxamide
CID 60807268
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide
CID 155996435
N-(1-hydroxypropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 115765031
4-[(1-ethylpyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236357
N-(1-aminopropan-2-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 82505454
N,1-dimethyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 134004086

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide (CID 155996445) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide is CCCN(C(=O)c1cccn1C)[C@@H]1COC[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
The InChIKey is MYOVHYRFHGTIHK-UPJWGTAASA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-6-16(11-8-20-9-12(17)13(11)18)14(19)10-5-4-7-15(10)2/h4-5,7,11-13,17-18H,3,6,8-9H2,1-2H3/t11-,12-,13+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-1-methyl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 155996445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).