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

C25H31N3O4 — CID 46060542

IUPACN-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
SMILESCOc1ccccc1C(=O)N(CC1CC1)CC1CN(C(=O)NCc2ccccc2)CCO1
InChIInChI=1S/C25H31N3O4/c1-31-23-10-6-5-9-22(23)24(29)28(16-20-11-12-20)18-21-17-27(13-14-32-21)25(30)26-15-19-7-3-2-4-8-19/h2-10,20-21H,11-18H2,1H3,(H,26,30)
InChIKeyVMGJTQYIHUEOCE-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.16
Rot. Bonds8

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

N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide (PubChem CID 46060542) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
PubChem CID46060542
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide
SMILESCOc1ccccc1C(=O)N(CC1CC1)CC1CN(C(=O)NCc2ccccc2)CCO1
InChIInChI=1S/C25H31N3O4/c1-31-23-10-6-5-9-22(23)24(29)28(16-20-11-12-20)18-21-17-27(13-14-32-21)25(30)26-15-19-7-3-2-4-8-19/h2-10,20-21H,11-18H2,1H3,(H,26,30)
InChIKeyVMGJTQYIHUEOCE-UHFFFAOYSA-N
XLogP3.16
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 46060538
2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 46060541
N-(cyclopropylmethyl)-N-[[4-[(4-fluorophenyl)carbamothioyl]morpholin-2-yl]methyl]-2-methoxybenzamide
CID 46060412
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
N-benzyl-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060532
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
N-(cyclopropylmethyl)-N-[[4-(furan-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861686
2-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-N-(2-phenylethyl)benzamide
CID 45211873
N-(cyclopropylmethyl)-3,4-dimethoxy-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861731
(2R)-2-[[cyclopropylmethyl-(3-fluorobenzoyl)amino]methyl]-N-ethylmorpholine-4-carboxamide
CID 92990154
N-(3-chlorophenyl)-2-[[cyclopropylmethyl-(3,4-dimethoxybenzoyl)amino]methyl]morpholine-4-carboxamide
CID 46060546
2-[benzylcarbamoyl-[(4-methylmorpholin-2-yl)methyl]amino]acetamide
CID 128996448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
The IUPAC name of N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide (CID 46060542) is N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide is COc1ccccc1C(=O)N(CC1CC1)CC1CN(C(=O)NCc2ccccc2)CCO1.
What is the InChIKey of N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
The InChIKey is VMGJTQYIHUEOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-31-23-10-6-5-9-22(23)24(29)28(16-20-11-12-20)18-21-17-27(13-14-32-21)25(30)26-15-19-7-3-2-4-8-19/h2-10,20-21H,11-18H2,1H3,(H,26,30).
What are the key properties of N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide?
N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[cyclopropylmethyl-(2-methoxybenzoyl)amino]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 46060542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).