1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

C24H29N3O3 — CID 60560462

IUPAC1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C24H29N3O3/c25-22(28)21-10-5-13-27(21)17-18-6-4-9-20(16-18)26-23(29)24(11-14-30-15-12-24)19-7-2-1-3-8-19/h1-4,6-9,16,21H,5,10-15,17H2,(H2,25,28)(H,26,29)
InChIKeyLWAKOYRENXGXBK-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.82
Rot. Bonds6

About 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 60560462) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID60560462
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1
InChIInChI=1S/C24H29N3O3/c25-22(28)21-10-5-13-27(21)17-18-6-4-9-20(16-18)26-23(29)24(11-14-30-15-12-24)19-7-2-1-3-8-19/h1-4,6-9,16,21H,5,10-15,17H2,(H2,25,28)(H,26,29)
InChIKeyLWAKOYRENXGXBK-UHFFFAOYSA-N
XLogP2.82
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(1-phenylcyclobutanecarbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560169
1-[[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120939593
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 60560386
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560167
2-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240738
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
(2S)-1-[[3-[[(3R)-spiro[3.3]heptan-3-yl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 129481757
1-[[3-[[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984867
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 60560463

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 60560462) is 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1.
What is the InChIKey of 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is LWAKOYRENXGXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c25-22(28)21-10-5-13-27(21)17-18-6-4-9-20(16-18)26-23(29)24(11-14-30-15-12-24)19-7-2-1-3-8-19/h1-4,6-9,16,21H,5,10-15,17H2,(H2,25,28)(H,26,29).
What are the key properties of 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-phenyloxane-4-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60560462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).