N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide

C20H29N3O3 — CID 75462890

IUPACN-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
SMILESCC(NC(=O)C1CCOCC1)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-15(21-20(25)17-8-12-26-13-9-17)19(24)22-18-6-4-16(5-7-18)14-23-10-2-3-11-23/h4-7,15,17H,2-3,8-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyTVGMQHDJDLLMAK-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.15
Rot. Bonds6

About N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide

N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide (PubChem CID 75462890) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
PubChem CID75462890
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide
SMILESCC(NC(=O)C1CCOCC1)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-15(21-20(25)17-8-12-26-13-9-17)19(24)22-18-6-4-16(5-7-18)14-23-10-2-3-11-23/h4-7,15,17H,2-3,8-14H2,1H3,(H,21,25)(H,22,24)
InChIKeyTVGMQHDJDLLMAK-UHFFFAOYSA-N
XLogP2.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
N-[1-[4-[benzyl(methyl)amino]anilino]-1-oxopropan-2-yl]oxane-4-carboxamide
CID 75462851
ethyl N-methyl-N-[4-[2-(oxane-4-carbonylamino)propanoylamino]phenyl]carbamate
CID 75462855
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
N-[(2R)-1-(3-chloro-4-cyclopentyloxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175612
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
N-[(2S)-1-(3-fluoro-4-methoxyanilino)-1-oxopropan-2-yl]oxane-4-carboxamide
CID 95175589
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]oxane-4-carboxamide
CID 42244583
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide (CID 75462890) is N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide is CC(NC(=O)C1CCOCC1)C(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide?
The InChIKey is TVGMQHDJDLLMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(21-20(25)17-8-12-26-13-9-17)19(24)22-18-6-4-16(5-7-18)14-23-10-2-3-11-23/h4-7,15,17H,2-3,8-14H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide?
N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[4-(pyrrolidin-1-ylmethyl)anilino]propan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 75462890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).