N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide

C24H28FN3O3 — CID 46060532

IUPACN-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCOC(CN(CC2CC2)C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C24H28FN3O3/c25-21-8-4-7-20(13-21)23(29)28(15-19-9-10-19)17-22-16-27(11-12-31-22)24(30)26-14-18-5-2-1-3-6-18/h1-8,13,19,22H,9-12,14-17H2,(H,26,30)
InChIKeySLNYUQYJIPXZGO-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.29
Rot. Bonds7

About N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide

N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide (PubChem CID 46060532) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
PubChem CID46060532
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccccc1)N1CCOC(CN(CC2CC2)C(=O)c2cccc(F)c2)C1
InChIInChI=1S/C24H28FN3O3/c25-21-8-4-7-20(13-21)23(29)28(15-19-9-10-19)17-22-16-27(11-12-31-22)24(30)26-14-18-5-2-1-3-6-18/h1-8,13,19,22H,9-12,14-17H2,(H,26,30)
InChIKeySLNYUQYJIPXZGO-UHFFFAOYSA-N
XLogP3.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990157
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060542
N-(cyclopropylmethyl)-N-[[4-(furan-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861686
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-3-methoxybenzamide
CID 42861711
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
CID 92989640
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
N-(cyclopropylmethyl)-4-fluoro-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 129478586
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide?
The IUPAC name of N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide (CID 46060532) is N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide is O=C(NCc1ccccc1)N1CCOC(CN(CC2CC2)C(=O)c2cccc(F)c2)C1.
What is the InChIKey of N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide?
The InChIKey is SLNYUQYJIPXZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c25-21-8-4-7-20(13-21)23(29)28(15-19-9-10-19)17-22-16-27(11-12-31-22)24(30)26-14-18-5-2-1-3-6-18/h1-8,13,19,22H,9-12,14-17H2,(H,26,30).
What are the key properties of N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide?
N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 46060532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).