(3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide

C19H25N3O3 — CID 124620055

IUPAC(3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
SMILESC#CCOc1ccccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H25N3O3/c1-3-10-25-18-7-5-4-6-16(18)20-19(23)22-13-15(2)17(14-22)21-8-11-24-12-9-21/h1,4-7,15,17H,8-14H2,2H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyVNYFSVYXTRCQTF-NVXWUHKLSA-N
MW343.43 g/mol
LogP1.88
Rot. Bonds4

About (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide

(3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 124620055) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID124620055
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
SMILESC#CCOc1ccccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1
InChIInChI=1S/C19H25N3O3/c1-3-10-25-18-7-5-4-6-16(18)20-19(23)22-13-15(2)17(14-22)21-8-11-24-12-9-21/h1,4-7,15,17H,8-14H2,2H3,(H,20,23)/t15-,17-/m1/s1
InChIKeyVNYFSVYXTRCQTF-NVXWUHKLSA-N
XLogP1.88
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3-methoxy-4-methyl-N-(2-prop-2-ynoxyphenyl)piperidine-1-carboxamide
CID 129433516
(3S)-3-(piperidin-1-ylmethyl)-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
CID 99826625
3-methyl-4-morpholin-4-yl-N-(1-phenylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 127428554
(3S)-4-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-oxo-3-phenylbutanenitrile
CID 97340968
2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
CID 63747234
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-(4-fluoro-2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide
CID 98197712
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733
1-[[2-(2,2-difluoroethoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102580
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 129462021
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
(3R,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methyl-4-morpholin-4-ylpyrrolidine-1-carboxamide
CID 124574545

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide (CID 124620055) is (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide is C#CCOc1ccccc1NC(=O)N1C[C@@H](C)[C@H](N2CCOCC2)C1.
What is the InChIKey of (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is VNYFSVYXTRCQTF-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-10-25-18-7-5-4-6-16(18)20-19(23)22-13-15(2)17(14-22)21-8-11-24-12-9-21/h1,4-7,15,17H,8-14H2,2H3,(H,20,23)/t15-,17-/m1/s1.
What are the key properties of (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide?
(3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-4-morpholin-4-yl-N-(2-prop-2-ynoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124620055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).