N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide

C21H25N3O3 — CID 47758963

IUPACN-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(CNC(=O)NCc2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-15-5-2-6-16(11-15)13-22-21(26)23-14-17-7-3-8-18(12-17)24-20(25)19-9-4-10-27-19/h2-3,5-8,11-12,19H,4,9-10,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyUTGINWQKDQTEKL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.11
Rot. Bonds6

About N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide

N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 47758963) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID47758963
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide
SMILESCc1cccc(CNC(=O)NCc2cccc(NC(=O)C3CCCO3)c2)c1
InChIInChI=1S/C21H25N3O3/c1-15-5-2-6-16(11-15)13-22-21(26)23-14-17-7-3-8-18(12-17)24-20(25)19-9-4-10-27-19/h2-3,5-8,11-12,19H,4,9-10,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyUTGINWQKDQTEKL-UHFFFAOYSA-N
XLogP3.11
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111900989
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305205
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 110918378
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
N-[3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111636384
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[(4-aminobutanoylamino)methyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119305213
N-[[3-(oxolane-2-carbonylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119752027
N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]oxolane-2-carboxamide;hydroiodide
CID 111124506
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide (CID 47758963) is N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide is Cc1cccc(CNC(=O)NCc2cccc(NC(=O)C3CCCO3)c2)c1.
What is the InChIKey of N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is UTGINWQKDQTEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-5-2-6-16(11-15)13-22-21(26)23-14-17-7-3-8-18(12-17)24-20(25)19-9-4-10-27-19/h2-3,5-8,11-12,19H,4,9-10,13-14H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide?
N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-methylphenyl)methylcarbamoylamino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 47758963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).