N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide

C18H27N3O3 — CID 119643641

IUPACN-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H27N3O3/c1-3-18(19,4-2)12-20-16(22)13-7-5-8-14(11-13)21-17(23)15-9-6-10-24-15/h5,7-8,11,15H,3-4,6,9-10,12,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGLBVUUABFKTBBJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.05
Rot. Bonds7

About N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 119643641) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID119643641
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C18H27N3O3/c1-3-18(19,4-2)12-20-16(22)13-7-5-8-14(11-13)21-17(23)15-9-6-10-24-15/h5,7-8,11,15H,3-4,6,9-10,12,19H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGLBVUUABFKTBBJ-UHFFFAOYSA-N
XLogP2.05
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
N-(2-amino-2-ethylbutyl)-3-(carbamoylamino)benzamide;hydrochloride
CID 119640724
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[2-(4-tert-butylphenyl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46442303
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 119643641) is N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide is CCC(N)(CC)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is GLBVUUABFKTBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-18(19,4-2)12-20-16(22)13-7-5-8-14(11-13)21-17(23)15-9-6-10-24-15/h5,7-8,11,15H,3-4,6,9-10,12,19H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-ethylbutyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 119643641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).